SCHEMBL700503

SCHEMBL700503

CN(C)C(c1ccccc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C(=O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.51
OGFRL1 Q5TC84 3/20 0.51
OPRL1 P41146 3/20 0.42
LPAR1 Q92633 1/20 0.37
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ATM Q13315 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL698925 0.99 OPRM1 (0.51) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL700600 0.94 OPRM1 (0.46) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL698797 0.94 OPRM1 (0.46) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL699225 0.93 OPRM1 (0.47) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL698369 0.93 OPRM1 (0.47) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL699607 0.92 OPRM1 (0.45) OPRM1OGFRL1OPRL1LPAR1KDM4E
SCHEMBL700447 0.91 OPRM1 (0.46) OPRM1OGFRL1OPRL1LPAR1KDM4E
SCHEMBL700024 0.89 OPRM1 (0.48) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL698790 0.89 OPRM1 (0.65) OPRM1OGFRL1OPRL1LPAR1KMT2A
SCHEMBL699830 0.88 OPRM1 (0.47) OPRM1OGFRL1OPRL1LPAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP claimed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 US claimed
US-8124788-B2 Spirocyclic cyclohexane compounds with analgesic activity GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2010531-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES GRUENENTHAL GMBH (DE) 2011-08-17 EP disclosed
US-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY GRUENENTHAL GMBH (DE) 2009-04-30 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 (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-20090111842-A1 SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY OPRK1, OPRL1, OPRD1 OPRM1 9/4885OGFRL1 163/4885OPRL1 2/4885

“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.