SCHEMBL632343

SCHEMBL632343

c1ccc(COc2cccc(NCc3cnc[nH]3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.62
ROCK2 O75116 1/20 0.53
GRK2 P25098 1/20 0.53
FFAR1 O14842 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LTA4H P09960 1/20 0.48
F2 P00734 1/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
PGGT1B P53609 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
SCHEMBL631904 0.93 TAAR1 (0.62) TAAR1ROCK2GRK2LTA4HFNTA
SCHEMBL632233 0.85 TAAR1 (0.68) TAAR1GRK2FNTAFNTBPGGT1B
SCHEMBL633538 0.81 TAAR1 (0.56) TAAR1
SCHEMBL631852 0.81 TAAR1 (0.61) TAAR1
SCHEMBL2626850 0.81 HRH3 (0.63) TAAR1
SCHEMBL5310163 0.80 MEN1 (0.68) ROCK2GRK2FFAR1KDM4EMEN1
SCHEMBL8212507 0.80 GRK2 (0.50) ROCK2GRK2FFAR1KDM4EMEN1
SCHEMBL6727909 0.79 MAPK1 (0.70) ROCK2GRK2FFAR1KDM4EMEN1
SCHEMBL4901454 0.78 TAAR1 (1.00) TAAR1
SCHEMBL633256 0.78 TAAR1 (0.74) TAAR1FNTAFNTBPGGT1B

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 8 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
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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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 TAAR1 419/4885ROCK2 2351/4885GRK2 1331/4885

“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.