SCHEMBL4072298

SCHEMBL4072298

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.52
OPRL1 P41146 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
CYP2D6 P10635 2/20 0.38
MAPT P10636 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
SCHEMBL4076511 0.80 OPRL1 (0.59) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL20866603 0.80 OPRL1 (0.59) OPRM1OPRL1SLC6A2
SCHEMBL21780743 0.79 OPRM1 (0.46) OPRM1OPRL1GAASLC6A2SLC6A4
SCHEMBL4051249 0.76 OPRL1 (0.63) OPRM1OPRL1
SCHEMBL4074077 0.75 OPRM1 (0.51) OPRM1OPRL1SMN1; SMN2
Hydrochloric Acid SCHEMBL4056476 0.75 OPRL1 (0.61) OPRM1OPRL1
SCHEMBL3409128 0.73 OPRM1 (0.67) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL5168924 0.72 OPRM1 (0.54) OPRM1OPRL1SLC6A2SLC6A4CYP2D6
SCHEMBL2985663 0.72 OPRM1 (0.51) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL517361 0.72 OPRM1 (0.61) OPRM1OPRL1

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 9 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
JP-2007536323-A 2007-12-13 JP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 OPRM1 3175/4885OPRL1 2751/4885SMN1; SMN2 1061/4885

“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.