SCHEMBL633347

SCHEMBL633347

CN(Cc1c[nH]cn1)c1ccc(Cl)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IP6K1 Q92551 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TRPM5 Q9NZQ8 2/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL632707 0.89 ALDH1A1 (0.37) IP6K1TAAR1
SCHEMBL632483 0.87 DHFR (0.37) IP6K1TAAR1
SCHEMBL631732 0.87 TAAR1 (0.39) IP6K1TAAR1TRPM5
SCHEMBL632986 0.85 S1PR1 (0.38) TAAR1TRPM5
SCHEMBL631991 0.83 TAAR1 (0.45) TAAR1
SCHEMBL632964 0.82 HTR1A (0.35)
SCHEMBL633295 0.81 IP6K1 (0.33) IP6K1TAAR1
SCHEMBL633242 0.80 TAAR1 (0.35) TAAR1
SCHEMBL631847 0.77 TAAR1 (0.38) TAAR1
SCHEMBL632194 0.77 NTRK1 (0.37)

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 PIM1 2938/4885PIM2 3146/4885IP6K1 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.