SCHEMBL1328495

SCHEMBL1328495

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.45
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
GPR139 Q6DWJ6 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL1328396 0.92 OPRL1 (0.45) OPRM1OPRL1TMEM97SIGMAR1MEN1
SCHEMBL1326712 0.92 GRM5 (0.45) GRM5TMEM97SIGMAR1TP53KCNH2
SCHEMBL1328281 0.91 TMEM97 (0.48) GRM5TMEM97SIGMAR1TP53KCNH2
SCHEMBL1326898 0.90 KCNK3 (0.43) OPRM1OPRL1GPR139ITGB3ITGA2B
SCHEMBL2308022 0.89 TMEM97 (0.44) GRM5TMEM97SIGMAR1TP53KCNH2
SCHEMBL1327818 0.89 OPRL1 (0.42) OPRM1OPRL1CHRM1GPR139ITGB3
SCHEMBL1328256 0.89 SLC6A9 (0.47) OPRM1OPRL1TMEM97SIGMAR1ITGB3
SCHEMBL1327983 0.85 P2RX7 (0.42) OPRL1SIGMAR1CHRM1
SCHEMBL27751828 0.85 SCD (0.45) OPRM1OPRL1CHRM1
SCHEMBL1328124 0.85 OPRL1 (0.42) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R GRM5 2518/4885OPRM1 57/4885OPRL1 238/4885

“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.