SCHEMBL632566

SCHEMBL632566

CS(=O)(=O)c1cccc(NCc2cnc[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.59
TAAR1 Q96RJ0 2/20 0.58
FNTA P49354 2/20 0.57
FNTB P49356 2/20 0.57
ADRA2A P08913 1/20 0.48
PGGT1B P53609 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL10228647 0.79 TAAR1 (0.67) ADRA1ATAAR1ADRA2CHRH3
SCHEMBL631938 0.76 TAAR1 (0.67) TAAR1FNTAFNTBPGGT1B
SCHEMBL8204554 0.76 TAAR1 (0.67) ADRA1ATAAR1FNTAFNTBPGGT1B
SCHEMBL631729 0.76 TAAR1 (0.61) ADRA1ATAAR1FNTAFNTBPGGT1B
SCHEMBL631852 0.76 TAAR1 (0.61) TAAR1
SCHEMBL633256 0.75 TAAR1 (0.74) TAAR1FNTAFNTBPGGT1BADRA2C
SCHEMBL2852067 0.75 PIP4K2C (0.51)
SCHEMBL4901454 0.75 TAAR1 (1.00) ADRA1ATAAR1ADRA2CHRH3
SCHEMBL2854358 0.75 VNN1 (0.63)
SCHEMBL632995 0.73 TAAR1 (0.61) TAAR1HRH3

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
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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 (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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R ADRA1A 415/4885TAAR1 419/4885FNTA 3287/4885

“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.