SCHEMBL632220

SCHEMBL632220

COc1cc(C(N)Cc2cnc[nH]2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44
CYP19A1 P11511 3/20 0.42
NLN Q9BYT8 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 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
SCHEMBL13381647 0.79 CYP19A1 (0.62) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL631901 0.77 TAAR1 (0.53) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL631421 0.75 CYP19A1 (0.63) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL632198 0.75 HRH4 (0.51) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL13075502 0.75 SLC6A4 (0.42) NFKB1BLM
SCHEMBL632088 0.74 NLN (0.61) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL29198584 0.72 NFKB1 (0.37) NFKB1LMNABLM
SCHEMBL18793774 0.72 CYP3A4 (0.45) NFKB1BLM
SCHEMBL632158 0.72 NLN (0.50) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL633409 0.72 MAP3K8 (0.53) HRH3

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.