SCHEMBL4410876

SCHEMBL4410876

Cc1nnnn1CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.41
TRPV1 Q8NER1 1/20 0.36
GRM2 Q14416 1/20 0.36
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TOP2A P11388 1/20 0.34
CYP1A2 P05177 2/20 0.30

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
SCHEMBL3998076 0.83 MAPK1 (0.41) MAPK1CNR2P2RX7ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3069466 0.81 MAPK1 (0.40) MAPK1CNR2P2RX7LMNAKMT2A
SCHEMBL6110896 0.78 IDE (0.41) MAPK1CNR2MAPTP2RX7ALDH1A1
SCHEMBL12764087 0.77 CYP1A2 (0.48) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4406803 0.76 MAPT (0.44) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4408040 0.76 MAPT (0.44) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4405543 0.76 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1
SCHEMBL4544043 0.76 CNR2 (0.41) MAPK1CNR2MAPTTRPV1GRM2
SCHEMBL11767534 0.76 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1
Hydrochloric Acid SCHEMBL9661482 0.74 CNR2 (0.41) CNR2MAPTTRPV1GRM2ALDH1A1

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-2024102639-A1 N-ARYLPYRAZOLE NOD2 AGONISTS AS PROMOTERS OF IMMUNE CHECKPOINT INHIBITOR THERAPY THE SCRIPPS RESEARCH INSTITUTE (US) 2024-05-16 WO disclosed
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-10-24 US disclosed
CN-116066722-A Integrated modular system for transfer, storage and delivery of Liquefied Natural Gas (LNG) 伽利略技术公司 2023-05-05 CN disclosed
EP-3988834-A1 INTEGRATED MODULAR SYSTEM FOR TRANSFER, STORAGE, AND DELIVERY OF LIQUEFIED NATURAL GAS (LNG) Galileo Technologies Corporation (US) 2022-04-27 EP disclosed
US-20220113086-A1 INTEGRATED MODULAR SYSTEM FOR TRANSFER, STORAGE, AND DELIVERY OF LIQUEFIED NATURAL GAS (LNG) COMUSA, INCORPORATED 2022-04-14 US disclosed
US-20210284640-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. 2021-09-16 US disclosed
US-11046685-B2 Inhibitors of (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-29 US disclosed
EP-3760202-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Morphic Therapeutic, Inc. (US) 2021-01-06 EP disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 (7 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-11046685-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV MAPK1 2854/4885CNR2 3701/4885MAPT 2935/4885
US-20210284640-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV MAPK1 3032/4885CNR2 3333/4885MAPT 3003/4885
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA MAPK1 4586/4885CNR2 4823/4885MAPT 2586/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA MAPK1 4586/4885CNR2 4823/4885MAPT 2586/4885
US-11795167-B2 Inhibitors of (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV MAPK1 2883/4885CNR2 3688/4885MAPT 2998/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 MAPK1 4047/4885CNR2 106/4885MAPT 2367/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E MAPK1 2305/4885CNR2 4167/4885MAPT 3171/4885

“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.