SCHEMBL659895

SCHEMBL659895

COC(=O)C1(O)CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 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
SCHEMBL851918 0.88 NPSR1 (0.35) NPSR1CYP4F2CYP4A11LMNAOPRM1
Hydrochloric Acid SCHEMBL19281613 0.86 NPSR1 (0.34) NPSR1LMNAOPRM1
SCHEMBL2077252 0.85 NPSR1 (0.37) NPSR1CYP4F2CYP4A11LMNAOPRM1
Hydrochloric Acid SCHEMBL2077250 0.83 NPSR1 (0.36) NPSR1CYP4F2CYP4A11OPRM1
SCHEMBL28736620 0.80 OPRM1 (0.41) ALDH1A1LMNAOPRM1
SCHEMBL1603102 0.79
SCHEMBL15198721 0.78
Hydrochloric Acid SCHEMBL21296019 0.77 NPSR1 (0.34) NPSR1LMNA
SCHEMBL17892425 0.77 NPSR1 (0.37) NPSR1ALDH1A1CYP4F2CYP4A11LMNA
SCHEMBL30936120 0.77 KDM4E (0.32)

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834221-B1 CYCLIC AMIDES AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-05-25 EP claimed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-10093623-B2 Cyclic amides as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2018-10-09 US disclosed
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MITHRIDION, INC. 2018-04-12 US disclosed
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MITHRIDION, INC. 2018-04-12 US disclosed
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating MITHRIDION, INC. 2018-04-12 US disclosed
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2017-11-02 US disclosed
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2017-11-02 US disclosed
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating NEUROSOLIS INC (US) 2017-11-02 US disclosed
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MAPLIGHT THERAPEUTICS, INC. 2011-10-27 US disclosed
WO-2011085406-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2011-07-14 WO disclosed
WO-2011085406-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2011-07-14 WO disclosed
WO-2010102218-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2010-09-10 WO disclosed
WO-2010102218-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING MITHRIDION, INC. (US) 2010-09-10 WO disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
US-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES AICURIS GMBH & CO. KG (DE) 2010-01-28 US disclosed
CN-101511354-A Biphenyl substituted spirotetronic acids and their use for the treatment of retroviral diseases AICURIS GMBH & CO KG (DE) 2009-08-19 CN disclosed
WO-2008022725-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISORDERS AICURIS GMBH & CO. KG (DE) 2008-02-28 WO 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 (6 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-20100022527-A1 BIPHENYL SUBSTITUTED SPIROTETRONIC ACIDS AND THEIR USE FOR THE TREATMENT OF RETROVIRAL DISEASES DHFR, RORA, CYP2A6 NPSR1 1530/4885ALDH1A1 123/4885CYP4F2 406/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS NPSR1 399/4885ALDH1A1 4236/4885CYP4F2 2014/4885
US-10093623-B2 Cyclic amides as MetAP-2 inhibitors METAP2, METAP1, LNPEP NPSR1 881/4885ALDH1A1 3706/4885CYP4F2 1324/4885
US-20110263613-A1 COMPOUNDS AND COMPOSITIONS FOR COGNITION-ENHANCEMENT, METHODS OF MAKING, AND METHODS OF TREATING CHRM3, ACHE, CHRM4 NPSR1 257/4885ALDH1A1 2398/4885CYP4F2 1112/4885
US-20180099956-A1 Cognition Enhancing Compounds and Compositions, Methods of Making, and Methods of Treating CHRM3, CHRM4, CHRM5 NPSR1 206/4885ALDH1A1 2646/4885CYP4F2 2014/4885
US-20170313687-A1 Compounds and Compositions for Cognition-Enhancement, Methods of Making, and Methods of Treating CHRM3, ACHE, CHRM4 NPSR1 257/4885ALDH1A1 2398/4885CYP4F2 1112/4885

“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.