SCHEMBL2977995

SCHEMBL2977995

COC(=O)CCCC(=O)NC1CCC(Cc2cccc(Cl)c2)(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
EPHX2 P34913 3/20 0.47
SIGMAR1 Q99720 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2987319 0.89 MEN1 (0.47) EPHX2SSTR1SSTR4OPRM1OPRL1
SCHEMBL2983741 0.88 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2OPRM1OPRL1CNR1
SCHEMBL2989386 0.88 LMNA (0.45) HPGDSSTR1SSTR4
SCHEMBL2985381 0.88 OPRM1 (0.48) HPGDEPHX2OPRM1OPRL1
SCHEMBL4048586 0.87 CCR2 (0.49) THRBHPGDEPHX2SIGMAR1SMN1; SMN2
SCHEMBL206966 0.86 EPHX2 (0.62) THRBHPGDEPHX2SIGMAR1MEN1
SCHEMBL206084 0.83 EPHX2 (0.47) THRBHPGDEPHX2SIGMAR1SSTR1
SCHEMBL2976452 0.83 MEN1 (0.46) HPGDSMN1; SMN2OPRM1OPRL1MEN1
SCHEMBL2984900 0.82 HPGD (0.51) THRBHPGDEPHX2SIGMAR1OPRM1
SCHEMBL206772 0.82 EPHX2 (0.47) THRBHPGDEPHX2SIGMAR1SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
JP-2007536322-A 2007-12-13 JP claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
EP-1747191-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2007-01-31 EP claimed
WO-2005110975-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION Grünenthal GmbH (DE) 2005-11-24 WO claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 THRB 4182/4885HPGD 162/4885EPHX2 1094/4885

“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.