SCHEMBL4795508

SCHEMBL4795508

CC(C)C(N)CCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TRPA1 O75762 1/20 0.40
NFKB1 P19838 1/20 0.39
DNM1 Q05193 4/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
OPRM1 P35372 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13532953 1.00 GSR (0.41) GSRTRPV1TRPA1NFKB1DNM1
SCHEMBL727485 0.92
SCHEMBL21973386 0.92
Hydrochloric Acid SCHEMBL5463908 0.89 TRPV1 (0.35) GSRTRPV1TRPA1NFKB1DNM1
SCHEMBL3689551 0.88 OPRM1 (0.43) TRPV1TRPA1LMNATSHRBLM
SCHEMBL11119184 0.85 TRPV1 (0.46) TRPV1TRPA1LMNABLMOPRM1
SCHEMBL10356278 0.85 TRPV1 (0.46) TRPV1TRPA1LMNABLMOPRM1
SCHEMBL28494392 0.84 GSR (0.38) GSRTRPV1TRPA1NFKB1DNM1
SCHEMBL30509013 0.83 TRPV1 (0.46) GSRTRPV1TRPA1NFKB1DNM1
SCHEMBL30509012 0.83 TRPV1 (0.46) GSRTRPV1TRPA1NFKB1DNM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008939-A1 COMPOSITIONS FOR FIBREBOARDS WITH ENHANCED PROPERTIES UPON FAST-CURING AT LOW TEMPERATURE COVESTRO (NETHERLANDS) B.V. (NL) 2024-01-11 WO disclosed
WO-2022096518-A1 COMPOSITIONS SUITABLE FOR ENHANCING THE FLEXURAL PROPERTIES OF OBJECTS CONTAINING VEGETABLE FIBERS COVESTRO (NETHERLANDS) B.V. (NL) 2022-05-12 WO disclosed
US-20210040069-A1 DACOS Type NNRTIS Amino Acid Ester Derivative, Preparation Method Thereof, Pharmaceutical Composition, and Application Thereof YUNNAN UNIVERSITY (CN) 2021-02-11 US disclosed
WO-2017019833-A1 COMPOSITIONS CONTAINING REPAIR CELLS AND CATIONIC DYES MEDIVATION TECHNOLOGIES, INC. (US) 2017-02-02 WO disclosed
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence WARATAH PHARMACEUTICALS INC. (CA) 2014-06-05 US disclosed
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2014-05-15 US disclosed
CN-101516948-B Diamine chain extender compositions ALBEMARLE CORP 2012-08-15 CN disclosed
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES MCLAURIN JOANNE 2011-05-05 US disclosed
US-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES MCLAURIN JOANNE 2010-12-30 US disclosed
US-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-11-18 US disclosed
US-20100173960-A1 The Combination of a Cyclohexanehexol and a NSAID for the Treatment of Neurodegenerative Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-07-08 US disclosed
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE WARATAH PHARMACEUTICALS INC. (CA) 2010-07-01 US disclosed
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS MCLAURIN JOANNE 2010-06-10 US disclosed
US-20100113613-A1 CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS (CA) 2010-05-06 US disclosed
US-20100105631-A1 Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence WARATAH PHARMACEUTICALS INC. 2010-04-29 US disclosed
CN-101516948-A Diamine chain extender compositions ALBEMARLE CORP (US) 2009-08-26 CN disclosed
CN-101516944-A Chain extenders ALBEMARLE CORP (US) 2009-08-26 CN disclosed
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (CA) 2009-07-02 US disclosed
WO-2008016676-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO disclosed
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence WARATAH PHARMACEUTICALS INC. (CA) 2007-05-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES SNCA, PARK7, PMP22 GSR 528/4885TRPV1 1417/4885TRPA1 1053/4885
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES CDR2, HYPK, HTT GSR 886/4885TRPV1 3639/4885TRPA1 3625/4885
US-20210040069-A1 DACOS Type NNRTIS Amino Acid Ester Derivative, Preparation Method Thereof, Pharmaceutical Composition, and Application Thereof DAO, ASNS, DDO GSR 4706/4885TRPV1 4741/4885TRPA1 4863/4885
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE APP, IAPP, TTR GSR 619/4885TRPV1 1053/4885TRPA1 230/4885
US-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases APP, PSEN1, BACE1 GSR 1282/4885TRPV1 2986/4885TRPA1 2449/4885
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence SCLY, SMOX, SMS GSR 675/4885TRPV1 2420/4885TRPA1 1561/4885
US-20100173960-A1 The Combination of a Cyclohexanehexol and a NSAID for the Treatment of Neurodegenerative Diseases HTT, APP, PSEN2 GSR 2684/4885TRPV1 322/4885TRPA1 57/4885
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE SCLY, SCO2, SGMS2 GSR 723/4885TRPV1 2403/4885TRPA1 1639/4885
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES APP, IAPP, TTR GSR 571/4885TRPV1 1132/4885TRPA1 261/4885
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SOD1, SOD3, SMN1; SMN2 GSR 234/4885TRPV1 2344/4885TRPA1 690/4885
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence SCLY, SCO2, SGMS2 GSR 741/4885TRPV1 2418/4885TRPA1 1600/4885
US-20100105631-A1 Inositol Compounds and Uses of Same in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation or Amyloid Formation, Desposition, Accumulation or Persistence SCLY, SMOX, SMS GSR 675/4885TRPV1 2420/4885TRPA1 1561/4885
US-20100113613-A1 CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION APP, MAPT, HTT GSR 4415/4885TRPV1 1663/4885TRPA1 1973/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.