SCHEMBL12107888

SCHEMBL12107888

C/C=C(\CN)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
LMNA P02545 2/20 0.50
ABCC4 O15439 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
FFAR1 O14842 2/20 0.39

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
SCHEMBL1295180 0.84 AOC2 (0.49) TAAR1LMNAABCC4GAATSHR
SCHEMBL1295183 0.84 AOC2 (0.49) TAAR1LMNAABCC4GAATSHR
SCHEMBL1295225 0.84 AOC2 (0.49) TAAR1LMNAABCC4GAATSHR
Hydrochloric Acid SCHEMBL1295025 0.82 AOC2 (0.47) TAAR1LMNAABCC4GAATSHR
Hydrochloric Acid SCHEMBL1295029 0.82 AOC2 (0.47) TAAR1LMNAABCC4GAATSHR
SCHEMBL12107886 0.79 CYP1A2 (0.45) TAAR1IDO1AGXTHPGDCYP1A2
SCHEMBL14362754 0.77 MAOB (0.53) TAAR1LMNAGAAHTTKMT2A
SCHEMBL12108029 0.77 TAAR1 (0.43) TAAR1KMT2AMEN1IDO1AGXT
SCHEMBL12108120 0.77 HTR2A (0.43) TAAR1KMT2AMEN1IDO1HPGD
SCHEMBL28310293 0.75 CES1 (0.50) GAATSHRKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 260/4885LMNA 4139/4885ABCC4 1842/4885
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 260/4885LMNA 4139/4885ABCC4 1842/4885
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 260/4885LMNA 4139/4885ABCC4 1842/4885

“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.