SCHEMBL632198

SCHEMBL632198

COc1ccccc1C(N)Cc1cnc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.51
HRH3 Q9Y5N1 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
KMT2A Q03164 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
CYP19A1 P11511 1/20 0.45
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
NLN Q9BYT8 3/20 0.44
CYP3A4 P08684 2/20 0.43

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
SCHEMBL632295 0.79 HRH3 (0.50) HRH4HRH3ALDH1A1CYP1A2MEN1
SCHEMBL13381647 0.75 CYP19A1 (0.62) HRH4HRH3ALDH1A1CYP1A2MEN1
SCHEMBL632220 0.75 HRH4 (0.46) HRH4HRH3ALDH1A1CYP1A2MEN1
SCHEMBL631901 0.74 TAAR1 (0.53) HRH4HRH3ALDH1A1CYP1A2MEN1
SCHEMBL2741594 0.73 ADRA1A (0.64) HRH4HRH3CYP1A2HTR3EHTR3B
SCHEMBL2741601 0.72 TAAR1 (0.54) HRH4HRH3CYP1A2CYP19A1HTR3E
SCHEMBL12706123 0.72 IDO1 (0.52) ALDH1A1MEN1KMT2ALMNACYP2D6
SCHEMBL3285266 0.72 CYP2D6 (0.51) CYP1A2CYP2D6CYP2C19
SCHEMBL3176965 0.71 TAAR1 (0.44) ALDH1A1
SCHEMBL2741605 0.70 ADRA1A (0.59) HRH4HRH3ALDH1A1MEN1GLA

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 HRH4 365/4885HRH3 728/4885ALDH1A1 631/4885

“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.