SCHEMBL632702

SCHEMBL632702

CCN(Cc1c[nH]cn1)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 2/20 0.42
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
CNR1 P21554 4/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL631933 0.85 TAAR1 (0.46) CNR2TSHRTAAR1NR1H2NR1H3
SCHEMBL633148 0.85 NOX1 (0.52) CNR2TSHRTAAR1CYP2C19CYP1A2
SCHEMBL633000 0.80 GRIN2A (0.43) NR1H2NR1H3HTTKDM4EALDH1A1
SCHEMBL632294 0.80 TRPM5 (0.50) TSHRTAAR1NR1H2NR1H3KDM4E
SCHEMBL632131 0.80 TAAR1 (0.43) TAAR1LTA4HGRM2
SCHEMBL631671 0.80 NR1H2 (0.42) CNR2TSHRTAAR1NR1H2NR1H3
SCHEMBL633125 0.80 CNR2 (0.42) CNR2CNR1
SCHEMBL4047842 0.79 CNR2 (0.39) CNR2CNR1MEN1ALDH1A1MAPT
SCHEMBL632206 0.78 ALDH1A1 (0.40) CNR2TAAR1CNR1HTTALDH1A1
SCHEMBL12763735 0.77 TSHR (0.78) CNR2TSHRNR1H2NR1H3CNR1

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 CNR2 1154/4885TSHR 2098/4885TAAR1 419/4885

“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.