SCHEMBL632381

SCHEMBL632381

Cc1ncc(CNCc2cccc(Cl)c2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC1 Q13547 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SMARCA2 P51531 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7066938 0.76 CHRM2 (0.74) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14492306 0.74 CHRM2 (0.61) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL632265 0.73 CHRM2 (0.49) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28892293 0.72 OXTR (0.59) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15110660 0.71 CHRM2 (0.67) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29868670 0.70 CHRM2 (0.65) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3514622 0.70 CHRM2 (0.65) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7774786 0.69 CHRM2 (0.81) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL632382 0.69 TAAR1 (0.61) TAAR1HRH1HRH4HDAC6
Hydrochloric Acid SCHEMBL28578179 0.69 CHRM2 (0.62) CHRM2CYP1A2CYP3A4CYP2D6CYP2C19

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 CHRM2 628/4885CYP1A2 212/4885CYP3A4 22/4885

“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.