SCHEMBL4047583

SCHEMBL4047583

CNN(NC)C1(c2ccccc2)CCC(N)CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.70
KDM1A O60341 3/20 0.44
MAOB P27338 2/20 0.44
OPRM1 P35372 9/20 0.44
OPRK1 P41145 2/20 0.44
MAOA P21397 1/20 0.41

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
SCHEMBL317530 0.82 OPRL1 (1.00) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL4056482 0.81 OPRL1 (0.96) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL27606554 0.81 OPRL1 (0.96) OPRL1OPRM1OPRK1
Cyanide SCHEMBL28243987 0.78 OPRL1 (0.90) OPRL1OPRM1OPRK1
SCHEMBL14337143 0.74 OPRL1 (0.67) OPRL1KDM1AMAOBMAOA
SCHEMBL423267 0.70 OPRL1 (0.60) OPRL1KDM1AMAOBOPRM1MAOA
SCHEMBL5054294 0.70 OPRL1 (0.59) OPRL1KDM1AMAOBOPRM1OPRK1
SCHEMBL5052795 0.70 OPRL1 (0.59) OPRL1KDM1AMAOBOPRM1OPRK1
SCHEMBL23699058 0.69 OPRL1 (0.65) OPRL1OPRM1OPRK1
SCHEMBL4352329 0.69 OPRL1 (0.65) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 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 (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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC OPRL1 782/4885KDM1A 1638/4885MAOB 24/4885

“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.