SCHEMBL10568326

SCHEMBL10568326

NC1CCc2ccccc2C(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.60
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CES1 P23141 1/20 0.45
ANPEP P15144 4/20 0.44
S100A4 P26447 1/20 0.43
HTR7 P34969 1/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
CYP19A1 P11511 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL11392307 0.82 CYP19A1 (0.50) PLAUCYP2A6MAOAMAOBCES1
SCHEMBL11554985 0.78 CYP2A6 (0.50) CYP2A6MAOAMAOBCES1S100A4
SCHEMBL7712799 0.78 CYP2A6 (0.50) CYP2A6MAOAMAOBCES1S100A4
SCHEMBL10568813 0.78 MAOA (0.50) CYP2A6MAOAMAOBCES1S100A4
SCHEMBL30038968 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3
SCHEMBL895905 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3
SCHEMBL29428767 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3
SCHEMBL30368725 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3
SCHEMBL42952 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3
SCHEMBL896147 0.76 PLAU (1.00) PLAUANPEPDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002156-A1 7-Amino-5H-benzocycloheptene derivatives and their salts, a process for their preparation, their use as medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1979-05-30 EP claimed
EP-2661426-B1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-08-27 EP disclosed
US-8653003-B2 Pyrazol-4-yl carboxamide derivatives as microbiocides SYNGENTA PARTICIPATIONS AG (CH) 2014-02-18 US disclosed
EP-2661426-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES Syngenta Participations AG (CH) 2013-11-13 EP disclosed
US-20130281505-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-10-24 US disclosed
WO-2012093100-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-07-12 WO disclosed
US-4814335-A Antiviral compounds BIOMEASURE, INCORPORATED (US) 1989-03-21 US disclosed
EP-0296848-A1 Biological response modifiers, their production, and their use in therapy or in prophylaxis BIOMEASURE, INC. (US) 1988-12-28 EP 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-20130281505-A1 PYRAZOL-4-YL CARBOXAMIDE DERIVATIVES AS MICROBIOCIDES C3AR1, CD209, CCR9 PLAU 3719/4885CYP2A6 1541/4885MAOA 1458/4885

“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.