SCHEMBL706718

SCHEMBL706718

CN(C)C(c1ccc(F)cc1)C1CCC2(CC1)c1[nH]c3ccccc3c1CCN2C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRL1 P41146 3/20 0.41
OGFRL1 Q5TC84 5/20 0.40
LPAR1 Q92633 1/20 0.38
CFTR P13569 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL698813 0.84 OPRM1 (0.48) OPRM1OPRL1OGFRL1LPAR1CFTR
SCHEMBL699826 0.83 OPRM1 (0.49) OPRM1OPRL1OGFRL1CDK4CCND1
SCHEMBL699258 0.83 OPRM1 (0.47) OPRM1OPRL1OGFRL1TRPV1CDK4
SCHEMBL698369 0.82 OPRM1 (0.47) OPRM1OPRL1OGFRL1LPAR1TRPV1
SCHEMBL700600 0.82 OPRM1 (0.46) OPRM1OPRL1OGFRL1LPAR1TRPV1
SCHEMBL700398 0.82 OPRM1 (0.46) OPRM1OPRL1OGFRL1MEN1MAPT
SCHEMBL700598 0.82 OPRM1 (0.46) OPRM1OPRL1OGFRL1LPAR1TRPV1
SCHEMBL700349 0.81 OPRM1 (0.46) OPRM1OPRL1OGFRL1TRPV1CDK4
SCHEMBL700106 0.81 OPRM1 (0.46) OPRM1OPRL1OGFRL1LPAR1TRPV1
SCHEMBL701573 0.81 OPRM1 (0.47) OPRM1OPRL1OGFRL1LPAR1TRPV1

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 3 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 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 9/4885OPRL1 2/4885OGFRL1 163/4885

“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.