SCHEMBL4048459

SCHEMBL4048459

Cc1ccc(CC2(N(C)C)CCC(N)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.41
OPRM1 P35372 4/20 0.41
OPRK1 P41145 1/20 0.41
AQP3 Q92482 1/20 0.40
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
KDM1A O60341 1/20 0.34
PYCR1 P32322 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32

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
SCHEMBL4118593 0.85 AQP1 (0.41) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL4047850 0.85 OPRL1 (0.40) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL205961 0.85 OPRL1 (0.57) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL14028132 0.85 OPRM1 (0.41) OPRL1OPRM1OPRK1AQP3PYCR1
SCHEMBL5572222 0.81 SSTR4 (0.41) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL13503856 0.81 OPRM1 (0.39) OPRL1OPRM1OPRK1AQP3PYCR1
SCHEMBL4048457 0.80 SMN1; SMN2 (0.41) OPRL1OPRM1OPRK1AQP3IDO1
SCHEMBL28551933 0.79 MAOB (0.46) OPRL1AQP3MAOBMAOAKDM1A
Phenethylamine SCHEMBL4085421 0.77 OPRL1 (0.49) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL4076627 0.76 OPRL1 (0.45) OPRL1OPRM1OPRK1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 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 (2 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 OPRL1 2457/4885OPRM1 2315/4885OPRK1 860/4885
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC OPRL1 782/4885OPRM1 743/4885OPRK1 225/4885

“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.