SCHEMBL632265

SCHEMBL632265

Cc1nc[nH]c1CNCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
TMIGD3 P0DMS9 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HDAC1 Q13547 1/20 0.44
P2RX7 Q99572 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMARCA2 P51531 1/20 0.41
LMNA P02545 1/20 0.41

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 0.78 CHRM2 (0.74) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL14492306 0.75 CHRM2 (0.61) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL632381 0.73 CHRM2 (0.48) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL15110660 0.72 CHRM2 (0.67) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL3514622 0.71 CHRM2 (0.65) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL29868670 0.71 CHRM2 (0.65) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL7774786 0.70 CHRM2 (0.81) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
SCHEMBL632266 0.70 TAAR1 (0.58)
SCHEMBL28892293 0.70 OXTR (0.59) CHRM2HDAC1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28578179 0.70 CHRM2 (0.62) CHRM2HDAC1CYP1A2CYP3A4CYP2D6

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 CHRM2 628/4885CDC7 3441/4885DBF4 1102/4885

“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.