SCHEMBL1328124

SCHEMBL1328124

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.42
P2RX7 Q99572 2/20 0.39
OPRM1 P35372 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TACR3 P29371 4/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.37
CHRM4 P08173 1/20 0.36

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
SCHEMBL1327903 0.91 NPC1 (0.45) P2RX7NPC1RAB9AALDH1A1CHRM4
SCHEMBL1326896 0.90 OPRL1 (0.41) OPRL1OPRM1NPC1RAB9ACHRM4
SCHEMBL1327818 0.90 OPRL1 (0.42) OPRL1OPRM1CYP2C9CHRM4
SCHEMBL1328256 0.88 SLC6A9 (0.47) OPRL1OPRM1ALDH1A1CHRM4
SCHEMBL1328396 0.85 OPRL1 (0.45) OPRL1OPRM1NPC1RAB9ACHRM4
SCHEMBL1326741 0.85 OPRL1 (0.41) OPRL1P2RX7OPRM1CYP2C9CHRM4
SCHEMBL1326898 0.85 KCNK3 (0.43) OPRL1OPRM1NPC1RAB9AALDH1A1
SCHEMBL1327683 0.85 OPRL1 (0.39) OPRL1P2RX7OPRM1NPC1RAB9A
SCHEMBL2308504 0.85 OPRL1 (0.40) OPRL1OPRM1TACR3CHRM4
SCHEMBL1328495 0.85 GRM5 (0.45) 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 6 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

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 238/4885P2RX7 2239/4885OPRM1 57/4885

“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.