SCHEMBL633165

SCHEMBL633165

NC(Cc1c[nH]cn1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HTR2A P28223 1/20 0.33
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
AKT2 P31751 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL633241 0.84 GRIN2D (0.39) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL633294 0.80 DPP4 (0.39) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL633028 0.79 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL632202 0.77 PNMT (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL632482 0.77 DPP4 (0.37) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL632193 0.74 GRIN2D (0.33) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL631846 0.74 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL633346 0.74 DPP4 (0.33) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL632706 0.74 DPP4 (0.36) DPP4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL633072 0.71 GPR55 (0.34) GRIN1GRIN2B

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 DPP4 67/4885GRIN2D 225/4885GRIN3B 130/4885

“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.