SCHEMBL3784339

SCHEMBL3784339

CC1(C)CC(N)CCC1(N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.49
MAOB P27338 5/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 3/20 0.40

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
Hydrochloric Acid SCHEMBL12540104 0.75 OPRL1 (0.56) OPRL1MAOBKDM1AMAOA
Hydrochloric Acid SCHEMBL12540425 0.75 OPRL1 (0.56) OPRL1MAOBKDM1AMAOA
Methyl Alcohol SCHEMBL12814774 0.72 OPRL1 (0.53) OPRL1MAOBKDM1AMAOA
SCHEMBL14337143 0.72 OPRL1 (0.67) OPRL1MAOBKDM1AMAOA
SCHEMBL11572399 0.72 OPRL1 (0.52) OPRL1MAOBKDM1AMAOA
SCHEMBL18383462 0.71 MAOA (0.56) OPRL1MAOBKDM1AMAOA
Ammonia Solution, Strong SCHEMBL27588639 0.71 DPP4 (0.42) MAOBMAOA
Hydrochloric Acid SCHEMBL11569798 0.71 OPRL1 (0.50) OPRL1MAOBKDM1AMAOA
SCHEMBL29357755 0.70 MAOB (0.50) OPRL1MAOBKDM1AMAOA
SCHEMBL14880513 0.70 MAOB (0.50) OPRL1MAOBKDM1AMAOA

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
WO-2020021015-A1 NEW IMIDAZOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-30 WO claimed
WO-2020021015-A1 NEW IMIDAZOPYRIDINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-01-30 WO disclosed
EP-2260022-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2010-12-15 EP disclosed
WO-2009118174-A1 SUBSTITUTED CYCLOHEXYLDIAMINES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES GRUNENTHAL GMBH (DE) 2009-10-01 US disclosed
EP-1560809-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2005-08-10 EP disclosed
WO-2004043909-A1 CYCLOHEXYLUREA DERIVATIVES Grünenthal GmbH (DE) 2004-05-27 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-20090247591-A1 SUBSTITUTED CYCLOHEXYLDIAMINES OPRL1, OPRD1, OPRK1 OPRL1 1/4885MAOB 607/4885KDM1A 1948/4885

“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.