SCHEMBL1326686

SCHEMBL1326686

CN(C)C(c1ccccc1)C1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SIGMAR1 Q99720 6/20 0.55
POLB P06746 1/20 0.54
GRM7 Q14831 1/20 0.52
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
AVPR1A P37288 2/20 0.45
CCR5 P51681 1/20 0.44

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
SCHEMBL1328192 0.87 LMNA (0.54) LMNASIGMAR1POLBGRM7CNR2
SCHEMBL2308011 0.86 CNR2 (0.50) LMNASIGMAR1CNR2CNR1OPRM1
SCHEMBL492264 0.85 ATF4 (0.65) LMNAPOLBMEN1ALDH1A1KMT2A
SCHEMBL1326720 0.84 LMNA (0.57) LMNASIGMAR1POLBGRM7MEN1
SCHEMBL493318 0.82 CYP3A4 (0.47) LMNAKMT2AEPHX2OPRM1OPRL1
SCHEMBL1326636 0.81 SIGMAR1 (0.54) SIGMAR1CNR2MEN1KMT2AEPHX2
SCHEMBL493819 0.81 SMYD3 (0.52)
SCHEMBL493817 0.81 CYP3A4 (0.46) MEN1KMT2AEPHX2OPRM1OPRL1
SCHEMBL1326524 0.80 HPGD (0.45) MEN1ALDH1A1KMT2AEPHX2OPRM1
SCHEMBL2308819 0.79 CCR1 (0.44) LMNA

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 13 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
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
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 LMNA 1432/4885SIGMAR1 174/4885POLB 3017/4885

“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.