SCHEMBL2985381

SCHEMBL2985381

COC(=O)CCCC(=O)NC1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.48
OPRL1 P41146 5/20 0.48
EPHX2 P34913 2/20 0.47
EPHX1 P07099 1/20 0.46
KCNA3 P22001 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 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
SCHEMBL206079 0.93 OPRM1 (0.54) OPRM1OPRL1EPHX2EPHX1
SCHEMBL4072325 0.91 OPRM1 (0.52) OPRM1OPRL1EPHX2EPHX1
SCHEMBL2976452 0.90 MEN1 (0.46) OPRM1OPRL1CYP1A2CYP3A4CYP2D6
SCHEMBL2982804 0.89 CYP1A2 (0.42) OPRM1OPRL1CYP1A2CYP3A4CYP2D6
SCHEMBL2989386 0.89 LMNA (0.45) EPHX1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2987319 0.89 MEN1 (0.47) OPRM1OPRL1EPHX2
SCHEMBL2983741 0.88 SIGMAR1 (0.41) OPRM1OPRL1
SCHEMBL2977995 0.88 THRB (0.48) OPRM1OPRL1EPHX2HPGD
SCHEMBL2987110 0.86 MEN1 (0.51) OPRM1OPRL1EPHX2EPHX1
SCHEMBL2989227 0.85 BCHE (0.41) OPRM1OPRL1KCNA3HPGD

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 4 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
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US 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 OPRM1 1483/4885OPRL1 1292/4885EPHX2 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.