SCHEMBL2985682

SCHEMBL2985682

COC(=O)CCCC(=O)NC1CCC(c2ccccc2)(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
KCNA3 P22001 4/20 0.40
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 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
SCHEMBL2977903 0.90 EPHX2 (0.45) OPRM1OPRL1KCNA3EPHX2EPHX1
SCHEMBL2976512 0.80 RAB9A (0.54) KMT2A
SCHEMBL4052895 0.78 CCR2 (0.46) EPHX2KMT2A
SCHEMBL2976705 0.76 MEN1 (0.52) EPHX2EPHX1KMT2A
SCHEMBL2987227 0.75 CYP3A4 (0.42) KMT2A
SCHEMBL4869157 0.72 CYP1A2 (0.49)
SCHEMBL4046657 0.72 KMT2A (0.53) OPRM1OPRL1EPHX2KMT2A
SCHEMBL2985381 0.72 OPRM1 (0.48) OPRM1OPRL1KCNA3EPHX2EPHX1
SCHEMBL2985714 0.71 SMN1; SMN2 (0.43) OPRL1KMT2A
SCHEMBL4867141 0.70 SCN9A (0.51) KMT2A

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 GLA 1923/4885OPRM1 1483/4885OPRL1 1292/4885

“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.