SCHEMBL700598

SCHEMBL700598

CCC(CC)C(=O)N1CCc2c([nH]c3ccccc23)C12CCC(C(c1ccc(F)cc1)N(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.46
OGFRL1 Q5TC84 3/20 0.46
OPRL1 P41146 1/20 0.40
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 2/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
LPAR1 Q92633 1/20 0.35
LMNA P02545 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
SCHEMBL699445 0.94 OPRM1 (0.43) OPRM1OGFRL1OPRL1KMT2APOLB
SCHEMBL698813 0.91 OPRM1 (0.48) OPRM1OGFRL1OPRL1KMT2ATRPV1
SCHEMBL699258 0.90 OPRM1 (0.47) OPRM1OGFRL1OPRL1KMT2APOLB
SCHEMBL700960 0.88 OPRM1 (0.47) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL700398 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1KMT2ALMNA
SCHEMBL699826 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1POLBCDK4
SCHEMBL698520 0.87 OPRM1 (0.42) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL700106 0.87 OPRM1 (0.46) OPRM1OGFRL1OPRL1KMT2APOLB
SCHEMBL701425 0.86 OPRM1 (0.43) OPRM1OGFRL1OPRL1KMT2ATRPA1
SCHEMBL698369 0.86 OPRM1 (0.47) OPRM1OGFRL1OPRL1KMT2ATRPV1

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 8 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
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 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-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.