SCHEMBL633256

SCHEMBL633256

c1ccc(-c2cccc(NCc3cnc[nH]3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.74
FNTA P49354 2/20 0.60
FNTB P49356 2/20 0.60
PGGT1B P53609 2/20 0.60
HRH3 Q9Y5N1 2/20 0.58
ADRA2C P18825 1/20 0.51
METAP2 P50579 1/20 0.50

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
SCHEMBL633040 0.87 TAAR1 (0.60) TAAR1FNTAFNTBPGGT1B
SCHEMBL4901454 0.86 TAAR1 (1.00) TAAR1HRH3ADRA2C
SCHEMBL633292 0.86 TAAR1 (0.55) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL632233 0.82 TAAR1 (0.68) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL8204554 0.81 TAAR1 (0.67) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL631938 0.81 TAAR1 (0.67) TAAR1FNTAFNTBPGGT1B
SCHEMBL10228647 0.81 TAAR1 (0.67) TAAR1HRH3ADRA2C
SCHEMBL14189389 0.80 TAAR1 (0.87) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL631904 0.78 TAAR1 (0.62) TAAR1FNTAFNTBPGGT1BHRH3
SCHEMBL632343 0.78 TAAR1 (0.62) TAAR1FNTAFNTBPGGT1B

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 10 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-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
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 TAAR1 419/4885FNTA 3287/4885FNTB 4182/4885

“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.