SCHEMBL2990220

SCHEMBL2990220

COCCOCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.44
OPRL1 P41146 5/20 0.44
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NAMPT P43490 1/20 0.38
KCNA3 P22001 2/20 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
SCHEMBL2979074 0.84 OPRL1 (0.64) OPRM1OPRL1
SCHEMBL2991003 0.82 OPRM1 (0.50) OPRM1OPRL1POLBRAB9A
SCHEMBL4074077 0.81 OPRM1 (0.51) OPRM1OPRL1NPC1RAB9A
SCHEMBL4074080 0.78 OPRM1 (0.51) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079677 0.77 OPRM1 (0.47) OPRM1OPRL1NPC1RAB9A
SCHEMBL5161128 0.75 OPRM1 (0.52) OPRM1OPRL1POLB
SCHEMBL2985450 0.75 OPRM1 (0.47) OPRM1OPRL1POLBATMNAMPT
SCHEMBL206971 0.75 MAPT (0.49) OPRM1OPRL1POLBATM
SCHEMBL4079669 0.74 OPRM1 (0.45) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079674 0.74 OPRM1 (0.45) OPRM1OPRL1NPC1RAB9A

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 1292/4885POLB 1844/4885

“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.