SCHEMBL2973808

SCHEMBL2973808

CSc1ccc(C2(O)CCC3(CC2CN(C)C)NCCc2c3[nH]c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.50
OGFRL1 Q5TC84 10/20 0.50
OPRL1 P41146 5/20 0.50
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.42
CHRM4 P08173 1/20 0.39
HTR7 P34969 1/20 0.39
CFTR P13569 1/20 0.37
CDK8 P49336 1/20 0.35
NTRK3 Q16288 1/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2977285 0.91 OPRM1 (0.60) OPRM1OGFRL1OPRL1LMNAKMT2A
Citric Acid SCHEMBL2966341 0.90 OPRM1 (0.44) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL4766511 0.88 OPRM1 (0.51) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2966374 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2976864 0.84 OPRM1 (0.52) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2973500 0.83 OPRM1 (0.50) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL2976491 0.83 OPRM1 (0.52) OPRM1OGFRL1OPRL1CHRM4HTR7
SCHEMBL2976623 0.83 OPRM1 (0.52) OPRM1OGFRL1OPRL1LMNAKMT2A
SCHEMBL4724252 0.82 OPRM1 (0.50) OPRM1OGFRL1OPRL1KMT2ACFTR
Citric Acid SCHEMBL2976393 0.82 OPRM1 (0.50) OPRM1OGFRL1OPRL1LMNAKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-7776848-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP disclosed
EP-1968587-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS Coley Pharmaceutical, Inc. (US) 2008-09-17 EP disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
WO-2007075468-A1 SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZONAPHTHYRIDINES, AND IMIDAZOPYRIDINES, COMPOSITIONS, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2007-07-05 WO disclosed
EP-1778680-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2007-05-02 EP disclosed
WO-2006018184-A2 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-02-23 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 (1 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-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 OPRM1 768/4885OGFRL1 1860/4885OPRL1 558/4885

“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.