SCHEMBL631702

SCHEMBL631702

CCN(Cc1c[nH]cn1)c1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
KCNMA1 Q12791 1/20 0.31
MYC P01106 1/20 0.30
GBA1 P04062 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
SCHEMBL631928 0.80 KDM4E (0.38) TAAR1
SCHEMBL632763 0.77 GSK3B (0.35) TAAR1GBA1
SCHEMBL633338 0.77 ALOX15 (0.30)
SCHEMBL633508 0.77 TAAR1 (0.36) TAAR1NR1H2NR1H3
SCHEMBL632072 0.76 CYP3A4 (0.35)
SCHEMBL633000 0.76 GRIN2A (0.43) NR1H2NR1H3
SCHEMBL631618 0.76 TAAR1 (0.40) TAAR1
SCHEMBL632294 0.76 TRPM5 (0.50) TAAR1NR1H2NR1H3GBA1
SCHEMBL631933 0.76 TAAR1 (0.46) TAAR1NR1H2NR1H3
SCHEMBL632281 0.76 TAAR1 (0.32) TAAR1GBA1

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 TAAR1 419/4885NR1H2 1517/4885NR1H3 1076/4885

“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.