SCHEMBL1326682

SCHEMBL1326682

CCCC(=O)N(c1ccccc1)C1CCC(C(c2ccccc2)N(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.47
OPRL1 P41146 1/20 0.47
OPRD1 P41143 5/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
OPRK1 P41145 3/20 0.42
CHRM3 P20309 2/20 0.42
CHRM2 P08172 1/20 0.42
TP53 P04637 1/20 0.42
SLC22A1 O15245 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL2308697 0.84 OPRD1 (0.42) OPRM1OPRL1OPRD1MEN1KMT2A
SCHEMBL2307341 0.83 OPRM1 (0.42) OPRM1OPRL1OPRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL1327469 0.83 OPRD1 (0.41) OPRM1OPRL1OPRD1MEN1KMT2A
Hydrochloric Acid SCHEMBL1327939 0.82 OPRM1 (0.42) OPRM1OPRL1OPRD1MEN1KMT2A
SCHEMBL2307165 0.81 OPRM1 (0.56) OPRM1SLC6A3
Hydrochloric Acid SCHEMBL1327966 0.81 OPRM1 (0.55) OPRM1SLC6A3
SCHEMBL3081658 0.76 OPRM1 (0.52) OPRM1OPRD1MEN1KMT2AKDM4E
SCHEMBL2310772 0.74 TRPM8 (0.46) OPRM1OPRD1ALDH1A1CHRM3CHRM2
Hydrochloric Acid SCHEMBL1326236 0.74 TRPM8 (0.45) OPRM1OPRD1ALDH1A1CHRM3CHRM2
SCHEMBL1327227 0.73 OPRM1 (0.41) OPRM1OPRD1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN claimed
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
JP-2009520720-A 2009-05-28 JP claimed
CN-101384544-A Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH (DE) 2009-03-11 CN claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
CN-101384544-B Substituted cyclohexylmethyl derivatives GRUENENTHAL GMBH 2014-01-22 CN disclosed
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
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRL1 238/4885OPRD1 129/4885

“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.