SCHEMBL1703335

SCHEMBL1703335

COc1ccc(CNC2(Cc3ccccc3)CCC3(CC2)OCCc2c3[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.56
OGFRL1 Q5TC84 11/20 0.56
OPRL1 P41146 5/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 3/20 0.55
CFTR P13569 4/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37

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
Citric Acid SCHEMBL2002776 0.91 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3563996 0.87 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3561227 0.82 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1702300 0.78 OPRM1 (0.64) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL14106671 0.76 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL3578406 0.73 OPRM1 (0.61) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL29930643 0.73 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566559 0.73 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL381022 0.73 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Lexanopadol SCHEMBL566686 0.73 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121691-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2012-04-18 EP disclosed
US-7960404-B2 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2011-06-14 US disclosed
US-20100048553-A1 Spirocyclic Cyclohexane Compounds GRUENENTHAL GMBH (DE) 2010-02-25 US disclosed
EP-2121691-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-11-25 EP disclosed
WO-2008101660-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2008-08-28 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 (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-20100048553-A1 Spirocyclic Cyclohexane Compounds PKD2, PKD1, RYR1 OPRM1 65/4885OGFRL1 672/4885OPRL1 17/4885

“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.