SCHEMBL1327463

SCHEMBL1327463

Cc1c(F)c(F)cc(C(=O)NCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 3/20 0.37
CNR2 P34972 2/20 0.37
KCNK3 O14649 1/20 0.36
CHRM1 P11229 3/20 0.36
AR P10275 1/20 0.36
OPRM1 P35372 3/20 0.36
MAPK14 Q16539 2/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAP2K1 Q02750 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
SCHEMBL1326706 0.86 HTR7 (0.42) OPRL1NPC1RAB9ACYP2C9KCNK3
SCHEMBL1327345 0.83 OPRL1 (0.41) OPRL1NPC1RAB9AKCNK3CHRM1
SCHEMBL28774679 0.83 NPC1 (0.48) OPRL1NPC1RAB9ACNR2CHRM1
SCHEMBL2310616 0.82 CACNA1I (0.48) OPRL1OPRM1
SCHEMBL1327843 0.81 LMNA (0.45) OPRL1NPC1RAB9ACNR2KCNK3
SCHEMBL493392 0.81 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL492705 0.81 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL1326746 0.80 NPC1 (0.46) NPC1RAB9ACNR2KCNK3CHRM1
SCHEMBL493393 0.79 OPRL1 (0.44) OPRL1OPRM1
SCHEMBL492704 0.79 OPRL1 (0.44) OPRL1OPRM1

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 4 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
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
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRL1 238/4885NPC1 112/4885RAB9A 905/4885

“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.