SCHEMBL633072

SCHEMBL633072

NC(Cc1c[nH]cn1)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.34
PDE2A O00408 11/20 0.34
RXRA P19793 4/20 0.33
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
NOTUM Q6P988 1/20 0.32
KIF11 P52732 1/20 0.32
OGA O60502 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 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
SCHEMBL632482 0.76 DPP4 (0.37) GRIN1GRIN2B
SCHEMBL633241 0.74 GRIN2D (0.39) GRIN1GRIN2B
SCHEMBL632202 0.73 PNMT (0.35) GRIN1GRIN2B
SCHEMBL633346 0.73 DPP4 (0.33) GRIN1GRIN2B
SCHEMBL632706 0.73 DPP4 (0.36) GRIN1GRIN2B
SCHEMBL633294 0.73 DPP4 (0.39) RXRAGRIN1GRIN2B
SCHEMBL9836792 0.72 PDE2A (0.42) GPR55PDE2ANOTUMKIF11OGA
SCHEMBL15157247 0.72 PDE2A (0.42) GPR55PDE2ANOTUMKIF11OGA
SCHEMBL632017 0.72 KIT (0.42)
SCHEMBL633165 0.71 DPP4 (0.41) 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 GPR55 1574/4885PDE2A 938/4885RXRA 3446/4885

“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.