SCHEMBL632199

SCHEMBL632199

COc1ccccc1CNCc1cnc[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CHRM2 P08172 10/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
BCHE P06276 4/20 0.50
ACHE P22303 4/20 0.50
CHRM4 P08173 3/20 0.50
CHRM5 P08912 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL2741601 0.81 TAAR1 (0.54) HRH4CYP3A4CYP2D6TSHR
SCHEMBL5695121 0.79 ALDH1A1 (0.79) KDM4EALDH1A1CHRM2GRIN1GRIN2A
SCHEMBL633081 0.78 ADRA2C (0.67) CYP3A4CYP2D6TSHR
SCHEMBL24732099 0.73 HRH4 (0.73) HRH4
SCHEMBL2741594 0.73 ADRA1A (0.64) HRH4CYP3A4CYP2D6TSHR
SCHEMBL24069918 0.72 LMNA (0.70) KDM4EALDH1A1TP53CYP2D6
SCHEMBL4918396 0.72 CHRM2 (0.79) KDM4EALDH1A1CHRM2GRIN1GRIN2A
SCHEMBL631902 0.72 CHRM2 (0.52) KDM4EALDH1A1CHRM2HRH4CYP3A4
SCHEMBL4629157 0.72 KDM4E (0.67) KDM4EALDH1A1CHRM2GRIN1GRIN2A
SCHEMBL8883322 0.72 KDM4E (0.70) KDM4EALDH1A1CHRM2GRIN1GRIN2A

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 KDM4E 69/4885ALDH1A1 631/4885CHRM2 628/4885

“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.