SCHEMBL633294

SCHEMBL633294

NC(Cc1c[nH]cn1)c1ccc(F)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.39
PARP1 P09874 2/20 0.34
DPP8 Q6V1X1 1/20 0.33
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
AKT1 P31749 1/20 0.30
RXRA P19793 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
SCHEMBL632482 0.87 DPP4 (0.37) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL632706 0.84 DPP4 (0.36) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL633346 0.81 DPP4 (0.33) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL633241 0.80 GRIN2D (0.39) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL633165 0.80 DPP4 (0.41) DPP4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL632193 0.77 GRIN2D (0.33) DPP4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL632202 0.76 PNMT (0.35) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL632350 0.74 DPP4 (0.32) DPP4
SCHEMBL631846 0.74 GRIN2D (0.33) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL30280698 0.73 GRIN2D (0.57) DPP4GRIN1GRIN2BGRIN2DGRIN3B

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 67/4885PARP1 2957/4885DPP8 967/4885

“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.