SCHEMBL631902

SCHEMBL631902

COc1cccc(CNCc2cnc[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC1 Q13547 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL30095864 0.83 HRH3 (0.43) TAAR1HRH4
SCHEMBL27246677 0.83 HRH3 (0.43) TAAR1HRH4
SCHEMBL2626821 0.83 HRH3 (0.60) TAAR1HRH4CYP2D6
SCHEMBL30945670 0.82 HRH3 (0.45) FNTAFNTB
SCHEMBL2741586 0.82 TAAR1 (0.59) TAAR1LMNAHRH4CYP1A2CYP3A4
SCHEMBL30095902 0.81 HRH3 (0.41) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1134127 0.81 CHRM2 (0.74) CHRM2KMT2AMEN1TAAR1LMNA
SCHEMBL631852 0.80 TAAR1 (0.61) TAAR1LMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6122475 0.79 CHRM2 (0.72) CHRM2KMT2AMEN1TAAR1LMNA
SCHEMBL24732099 0.78 HRH4 (0.73) TAAR1SMN1; SMN2HRH4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
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 628/4885KMT2A 282/4885MEN1 941/4885

“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.