SCHEMBL4076511

SCHEMBL4076511

CN(C)C1(c2cccs2)CCC(N)CC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.59
OPRM1 P35372 9/20 0.59
SLC6A3 Q01959 1/20 0.41
SLC6A2 P23975 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL4079446 0.84 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL20866603 0.83 OPRL1 (0.59) OPRL1OPRM1SLC6A3SLC6A2CHRM2
SCHEMBL4085368 0.82 OPRL1 (0.42) OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL4072298 0.80 OPRM1 (0.52) OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL3409128 0.79 OPRM1 (0.67) OPRL1OPRM1SLC6A3SLC6A2SLC6A4
SCHEMBL5168924 0.78 OPRM1 (0.54) OPRL1OPRM1SLC6A3SLC6A2SLC6A4
SCHEMBL4081238 0.77 OPRM1 (0.65) OPRL1OPRM1SLC6A3SLC6A2SLC6A4
SCHEMBL21766654 0.77 OPRM1 (0.52) OPRL1OPRM1SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5165622 0.77 OPRM1 (0.52) OPRL1OPRM1SLC6A3SLC6A2SLC6A4
SCHEMBL249993 0.76 NPC1 (0.43) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD OPRL1 2751/4885OPRM1 3175/4885SLC6A3 2730/4885

“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.