SCHEMBL1644070

SCHEMBL1644070

CCNc1c(F)cc([C@@H](C)NC(=O)c2ccc3nc(C4CC4)ccc3c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.38
IDO1 P14902 1/20 0.37
WDR5 P61964 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
HPGDS O60760 1/20 0.36
PPARG P37231 1/20 0.36
MAPK1 P28482 2/20 0.36
RPS6KA1 Q15418 1/20 0.36
ROCK2 O75116 3/20 0.35

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
SCHEMBL1284824 0.86 MAPK1 (0.40) PDE2AHPGDSMAPK1ROCK2
SCHEMBL1643550 0.84 LMNA (0.39) WDR5LMNAALDH1A1PPARGMAPK1
SCHEMBL1643268 0.82 LMNA (0.42) WDR5LMNAALDH1A1PPARGMAPK1
SCHEMBL1643189 0.82 WDR5 (0.36) PDE2AWDR5LMNAALDH1A1PPARG
SCHEMBL1644611 0.75 HPGDS (0.46) LMNAALDH1A1HPGDSMAPK1RPS6KA1
SCHEMBL1643127 0.74 PDE2A (0.45) PDE2A
SCHEMBL1644380 0.74 PDE2A (0.41) PDE2A
SCHEMBL1645206 0.73 HPGDS (0.43) PDE2AHPGDS
SCHEMBL1645222 0.73 HPGDS (0.43) PDE2ALMNAALDH1A1HPGDSMAPK1
SCHEMBL1285393 0.69 CSNK1D (0.37) LMNAALDH1A1PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 PDE2A 1116/4885IDO1 3128/4885WDR5 4178/4885

“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.