SCHEMBL1644385

SCHEMBL1644385

CCNc1ccc([C@@H](C)NC(=O)c2cnc3cc(C(F)(F)F)ccc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
DDR2 Q16832 4/20 0.42
HPGDS O60760 6/20 0.41
PDE2A O00408 8/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL1644700 0.92 HPGDS (0.42) HPGDSPDE2A
SCHEMBL1643052 0.92 HPGDS (0.42) MAOBDDR2HPGDSPDE2A
SCHEMBL1644034 0.88 HPGDS (0.45) HPGDS
SCHEMBL1645545 0.87 PDE2A (0.42) DDR2PDE2A
SCHEMBL1285590 0.86 DDR2 (0.42) MAOBDDR2HPGDSPDE2ABRAF
SCHEMBL1645337 0.86 PDE2A (0.42) MAOBHPGDSPDE2ABRAF
SCHEMBL1643047 0.84 NR1H4 (0.41) HPGDSPDE2A
SCHEMBL1645206 0.84 HPGDS (0.43) MAOBHPGDSPDE2A
SCHEMBL1642830 0.83 PDE2A (0.46) PDE2A
SCHEMBL1643224 0.83 PDE2A (0.39) DDR2PDE2A

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 MAOB 3327/4885DDR2 2428/4885HPGDS 427/4885

“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.