SCHEMBL1765394

SCHEMBL1765394

NCc1c(F)ccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.45
PNMT P11086 3/20 0.41
GAA P10253 1/20 0.34
DPP4 P27487 3/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.33
CD38 P28907 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2A13 Q16696 1/20 0.33

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
SCHEMBL856873 0.86 TAAR1 (0.43) TAAR1PNMTGAADPP4BACE1
SCHEMBL16812305 0.82 TAAR1 (0.45) TAAR1PNMTGAADPP4BACE1
SCHEMBL1196554 0.82 TAAR1 (0.45) TAAR1PNMTGAADPP4BACE1
SCHEMBL1765193 0.80 PNMT (0.48) TAAR1PNMTDPP4CYP3A4HTR2A
SCHEMBL27846447 0.80 PNMT (0.45) TAAR1PNMTDPP4
SCHEMBL856367 0.78 P2RX7 (0.40) TAAR1CYP3A4CD38HTR2AHTR2C
SCHEMBL6072548 0.77 TAAR1 (0.36) TAAR1GAABACE1CYP3A4CD38
SCHEMBL4120436 0.77 TAAR1 (0.36) TAAR1GAABACE1CYP3A4CD38
SCHEMBL6072587 0.77 TAAR1 (0.41) TAAR1GAABACE1CYP3A4CD38
SCHEMBL752405 0.77 TAAR1 (0.36) TAAR1GAABACE1CYP3A4CD38

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-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed
EP-2884977-B1 N-ALKYLATED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2017-10-11 EP disclosed
CN-102753538-B Sultam derivatives HOFFMANN LA ROCHE 2015-04-08 CN disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 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 (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-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 TAAR1 2713/4885PNMT 355/4885GAA 1228/4885

“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.