SCHEMBL1327451

SCHEMBL1327451

CN(C)C(c1cccs1)C1CCC(NC(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MCHR1 Q99705 3/20 0.39
GRM5 P41594 4/20 0.39
HPGD P15428 2/20 0.38
ADRA2A P08913 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
CRHR1 P34998 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL1327941 0.85 RAB9A (0.49) RAB9ANPC1MCHR1HPGDADRA2A
SCHEMBL1327306 0.84 MEN1 (0.48) L3MBTL1RAB9ANPC1MCHR1MEN1
SCHEMBL1328137 0.82 MCHR1 (0.50) L3MBTL1RAB9ANPC1MCHR1GRM5
SCHEMBL1327203 0.81 TAS1R3 (0.59) MCHR1ADRA2AMEN1KMT2AADRA1A
SCHEMBL1327804 0.81 SMYD3 (0.53) RAB9ANPC1MEN1ALDH1A1TSHR
SCHEMBL1326805 0.81 ADRA2A (0.49) L3MBTL1RAB9ANPC1MCHR1GRM5
SCHEMBL1326720 0.81 LMNA (0.57) MEN1ALDH1A1KMT2AKDM4E
SCHEMBL1328006 0.81 PLK1 (0.39) RAB9ANPC1HPGDMEN1ALDH1A1
SCHEMBL494016 0.79 OPRM1 (0.41) L3MBTL1RAB9ANPC1HPGDMEN1
SCHEMBL2307830 0.78 GRM5 (0.47) L3MBTL1RAB9ANPC1MCHR1GRM5

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 11 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
JP-2009520720-A 2009-05-28 JP 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
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
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 L3MBTL1 4461/4885RAB9A 905/4885NPC1 112/4885

“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.