SCHEMBL3615972

SCHEMBL3615972

COC(=O)C(N)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.44
GABBR1 Q9UBS5 1/20 0.44
F2 P00734 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
DAO P14920 1/20 0.36
WRN Q14191 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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 SCHEMBL2819034 0.98 GABBR2 (0.43) GABBR2GABBR1F2POLBALDH1A1
SCHEMBL17459402 0.81 GABBR2 (0.41) GABBR2GABBR1F2POLBALDH1A1
SCHEMBL4245645 0.79 CES2 (0.37) POLBALDH1A1HPGDDAOWRN
SCHEMBL8028596 0.79 GABBR2 (0.41) GABBR2GABBR1F2POLBALDH1A1
SCHEMBL5212433 0.78 GABBR2 (0.53) GABBR2GABBR1F2DAOWRN
SCHEMBL11694787 0.78 GABBR2 (0.49) GABBR2GABBR1F2POLBALDH1A1
Hydrochloric Acid SCHEMBL6655879 0.77 GABBR2 (0.51) GABBR2GABBR1F2DAOWRN
SCHEMBL12727410 0.76 GABBR2 (0.48) GABBR2GABBR1F2POLBALDH1A1
SCHEMBL8028534 0.76 GABBR2 (0.38) GABBR2GABBR1F2POLBALDH1A1
SCHEMBL23695559 0.73 GABBR2 (0.40) GABBR2GABBR1F2ALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114906-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8604061-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2013-12-10 US disclosed
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO (DE) 2012-08-02 US disclosed
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-7834023-B2 Substituted dihydroquinazolines as platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS GALLEY GUIDO 2010-05-13 US disclosed
EP-2114906-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 US disclosed
WO-2008092785-A1 NOVEL 2-AMINOOXAZOLINES AS TAAR1 LIGANDS FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 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 (5 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-20100120864-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R GABBR2 160/4885GABBR1 78/4885F2 2326/4885
US-20120196903-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPY2R GABBR2 150/4885GABBR1 81/4885F2 2488/4885
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 GABBR2 2434/4885GABBR1 2362/4885F2 65/4885
US-20080261920-A1 2-Aminooxazolines as TAAR1 ligands TAAR1, TAAR5, NPY2R GABBR2 160/4885GABBR1 78/4885F2 2326/4885
US-20080132499-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, PTAFR, PLAT GABBR2 327/4885GABBR1 316/4885F2 110/4885

“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.