SCHEMBL1006291

SCHEMBL1006291

Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1CN

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KIF11 P52732 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
DPP4 P27487 3/20 0.30
DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL7404048 0.84 ALDH1A1 (0.36) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL1003836 0.84 CYP11B1 (0.34) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL7437163 0.82 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL7415167 0.81 ALDH1A1 (0.34) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL9756933 0.81 MEN1 (0.37) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL7534704 0.80 HIF1A (0.37) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL7434512 0.78 ATP4A (0.32) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL10439558 0.78 CYP1A2 (0.44) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6
SCHEMBL9585649 0.77 TAAR1 (0.35) TAAR1CYP11B1CYP11B2KIF11SMN1; SMN2
SCHEMBL643809 0.75 CYP11B1 (0.37) CYP11B1CYP11B2ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
US-5932606-A Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5223625-A Antagonistic acitivity on 5-hydroxytryptamine receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1993-06-29 US disclosed
US-4985424-A Certain substituted 1,7-annelated 1h-indazoles being selective antagonists of 5-ht-receptors DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1991-01-15 US disclosed
US-4950759-A ANTAGONISTS OF NEURONAL 5-HYDROXYTRYPTAMINE(5-HT) RECEPTORS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1990-08-21 US disclosed
EP-0377238-A1 New annelated indolo (3,2-c)-lactams DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-07-11 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A TAAR1 1071/4885CYP11B1 3454/4885CYP11B2 2858/4885

“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.