SCHEMBL633166

SCHEMBL633166

CN(Cc1c[nH]cn1)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
IP6K1 Q92551 1/20 0.32
GBA1 P04062 1/20 0.31
PIK3CD O00329 1/20 0.31
LMNA P02545 1/20 0.31
PIK3R1 P27986 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL633242 0.84 TAAR1 (0.35) TAAR1
SCHEMBL632294 0.81 TRPM5 (0.50) TRPM5TAAR1GBA1LMNASMN1; SMN2
SCHEMBL631757 0.80 TAAR1 (0.39) TAAR1
SCHEMBL633295 0.80 IP6K1 (0.33) TAAR1IP6K1
SCHEMBL633029 0.79 LSS (0.33) TAAR1
SCHEMBL631732 0.77 TAAR1 (0.39) TRPM5TAAR1IP6K1
SCHEMBL632483 0.77 DHFR (0.37) TAAR1IP6K1
SCHEMBL632194 0.74 NTRK1 (0.37)
SCHEMBL631847 0.74 TAAR1 (0.38) TAAR1
SCHEMBL632707 0.74 ALDH1A1 (0.37) TAAR1IP6K1

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 5 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
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
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 TRPM5 650/4885TAAR1 419/4885IP6K1 801/4885

“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.