SCHEMBL632226

SCHEMBL632226

CC(C)N(Cc1c[nH]cn1)c1cccc(N2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.40
HTR2A P28223 3/20 0.40
DRD3 P35462 3/20 0.40
HTR6 P50406 3/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
TAAR1 Q96RJ0 5/20 0.37
KDM5B Q9UGL1 1/20 0.35

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
SCHEMBL632031 0.84 ALDH1A1 (0.40) TAAR1
SCHEMBL632623 0.84 TAAR1 (0.38) TAAR1
SCHEMBL631952 0.79 IDO1 (0.40) TAAR1
SCHEMBL8216329 0.77 TAAR1 (0.64) TAAR1
SCHEMBL632709 0.77 RORC (0.37) TAAR1KDM5B
SCHEMBL633066 0.77 TAAR1 (0.38) TAAR1
SCHEMBL631812 0.72 TAAR1 (0.46) TAAR1
SCHEMBL632083 0.72 TAAR1 (0.37) TAAR1
SCHEMBL633138 0.72 TAAR1 (0.39) TAAR1
SCHEMBL631991 0.71 TAAR1 (0.45) 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 HTR2C 26/4885HTR2A 71/4885DRD3 635/4885

“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.