SCHEMBL4659299

SCHEMBL4659299

Cc1cccc(CCC(=O)CN)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
FFAR4 Q5NUL3 1/20 0.48
NR3C2 P08235 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RAB9A P51151 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
IDO1 P14902 2/20 0.44
DAO P14920 1/20 0.44
CTBP2 P56545 1/20 0.44

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
SCHEMBL7337631 0.89 TAAR1 (0.57) TAAR1FFAR4NR3C2TDP1L3MBTL1
SCHEMBL10694899 0.84 IAPP (0.57) TAAR1FFAR4NR3C2TDP1L3MBTL1
SCHEMBL110045 0.83 IAPP (0.58) TAAR1FFAR4NR3C2TDP1L3MBTL1
SCHEMBL12106782 0.82 CTBP2 (0.54) TAAR1L3MBTL1CASP3CASP7IDO1
SCHEMBL3053513 0.82 TAAR1 (0.58) TAAR1FFAR4NR3C2TDP1L3MBTL1
SCHEMBL7507667 0.81 MMP12 (0.54) TAAR1FFAR4NR3C2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL23721866 0.81 TAAR1 (0.56) TAAR1FFAR4NR3C2TDP1L3MBTL1
SCHEMBL2027905 0.80 ALDH1A1 (0.62) TAAR1FFAR4NR3C2CASP3CASP7
SCHEMBL29842802 0.80 ALDH1A1 (0.62) TAAR1FFAR4NR3C2CASP3CASP7
SCHEMBL456436 0.80 FFAR4 (0.67) TAAR1FFAR4THRATHRBCTBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 US disclosed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 US disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 TAAR1 260/4885FFAR4 2870/4885NR3C2 3999/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 TAAR1 260/4885FFAR4 2870/4885NR3C2 3999/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 TAAR1 260/4885FFAR4 2870/4885NR3C2 3999/4885

“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.