SCHEMBL632846

SCHEMBL632846

CC(C)N(Cc1c[nH]cn1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
PKM P14618 1/20 0.32
IDH1 O75874 1/20 0.32
IDH2 P48735 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL632005 0.83 TAAR1 (0.38) TAAR1
SCHEMBL633508 0.82 TAAR1 (0.36) TAAR1PKMADRB1HTR2AHTR2C
SCHEMBL633412 0.79 TAAR1 (0.34) TAAR1IDH1IDH2HRH4
SCHEMBL631756 0.79 TAAR1 (0.43) TAAR1
SCHEMBL633103 0.79 ADRB1 (0.32) PKMADRB1
SCHEMBL10229147 0.77 TAAR1 (0.68) TAAR1
SCHEMBL632148 0.75 FABP4 (0.32) TAAR1
SCHEMBL632776 0.73 TAAR1 (0.36) TAAR1
SCHEMBL632442 0.73 S1PR1 (0.35) TAAR1
SCHEMBL632592 0.72 TAAR1 (0.40) TAAR1

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 3 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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R TAAR1 419/4885PKM 292/4885IDH1 743/4885

“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.