SCHEMBL631952

SCHEMBL631952

CC(C)N(Cc1c[nH]cn1)c1cccc(-n2ccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TAAR1 Q96RJ0 5/20 0.38
NCOA3 Q9Y6Q9 1/20 0.37
CYP3A4 P08684 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL632623 0.88 TAAR1 (0.38) TAAR1
SCHEMBL8216240 0.80 TAAR1 (0.61) TAAR1
SCHEMBL632226 0.79 HTR2C (0.40) TAAR1
SCHEMBL632031 0.75 ALDH1A1 (0.40) TAAR1CYP3A4GFER
SCHEMBL632379 0.72 IDO1 (0.44) IDO1NCOA3CYP3A4GFER
SCHEMBL633066 0.72 TAAR1 (0.38) TAAR1
SCHEMBL632083 0.69 TAAR1 (0.37) TAAR1
SCHEMBL631728 0.68 TAAR1 (0.38) TAAR1
SCHEMBL631812 0.68 TAAR1 (0.46) TAAR1
SCHEMBL632978 0.68 TAAR1 (0.38) 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 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 IDO1 57/4885TAAR1 419/4885NCOA3 3424/4885

“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.