SCHEMBL632706

SCHEMBL632706

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.36
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
MAPK1 P28482 4/20 0.33
EPHB4 P54760 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
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
CASP1 P29466 1/20 0.31

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
SCHEMBL633346 0.89 DPP4 (0.33) DPP4SLC6A2SLC6A4SLC6A3DPP8
SCHEMBL632482 0.87 DPP4 (0.37) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL632202 0.87 PNMT (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL633294 0.84 DPP4 (0.39) DPP4DPP8GRIN1GRIN2BGRIN2D
SCHEMBL633241 0.80 GRIN2D (0.39) DPP4DPP8CYP2D6GRIN1GRIN2B
SCHEMBL631846 0.80 GRIN2D (0.33) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL632350 0.80 DPP4 (0.32) DPP4
SCHEMBL632963 0.78 DYRK1A (0.36) MAPK1CYP2D6GRIN1GRIN2B
SCHEMBL632193 0.77 GRIN2D (0.33) DPP4GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL633165 0.74 DPP4 (0.41) DPP4CYP2D6GRIN1GRIN2BGRIN2D

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 67/4885SLC6A2 118/4885SLC6A4 10/4885

“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.