SCHEMBL633148

SCHEMBL633148

CCN(Cc1c[nH]cn1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.43
BCHE P06276 3/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CNR2 P34972 1/20 0.40
TSPO P30536 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALOX5 P09917 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
SCHEMBL632702 0.85 CNR2 (0.48) L3MBTL1TSHRTAAR1NPC1RAB9A
SCHEMBL4045749 0.82 S1PR1 (0.39) L3MBTL1TAAR1SMN1; SMN2NPC1RAB9A
SCHEMBL632055 0.82 TAAR1 (0.42) BCHETAAR1PTGS1PTGS2LMNA
SCHEMBL632206 0.82 ALDH1A1 (0.40) TAAR1SMN1; SMN2CNR2ALDH1A1GAA
SCHEMBL631933 0.81 TAAR1 (0.46) TSHRTAAR1CNR2NPSR1MAPT
SCHEMBL11268094 0.80 NOX1 (0.74) NOX1L3MBTL1TSHRBCHESMN1; SMN2
SCHEMBL14189388 0.78 TAAR1 (0.71) TAAR1
SCHEMBL4055184 0.78 CNR2 (0.43) L3MBTL1TSHRCNR2LMNASLC6A2
SCHEMBL633000 0.76 GRIN2A (0.43) KDM4EALDH1A1GAAMAPT
SCHEMBL632294 0.76 TRPM5 (0.50) L3MBTL1TSHRTAAR1SMN1; SMN2NPC1

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 NOX1 3775/4885L3MBTL1 1573/4885TSHR 2098/4885

“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.