SCHEMBL1644704

SCHEMBL1644704

CCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3nc(C(C)C)ccc3c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.34
IDO1 P14902 1/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 5/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL1645220 0.87 PDE2A (0.36) BRPF1PPARGS1PR1LMNA
SCHEMBL1643362 0.87 MCHR1 (0.35) BRPF1PPARGTAS1R3TAS1R1ROCK2
SCHEMBL1643380 0.86 MAPT (0.38) BRPF1PPARG
SCHEMBL1284794 0.86 NPC1 (0.34) BRPF1PPARGS1PR1S1PR3ROCK2
SCHEMBL1643883 0.85 PDE2A (0.33) BRPF1PPARGTAS1R3TAS1R1S1PR1
SCHEMBL1645194 0.84 HDAC3 (0.41) IDO1KCNH2
SCHEMBL1644603 0.83 MEN1 (0.37) TAS1R3TAS1R1ROCK2ROCK1NPC1
SCHEMBL1643550 0.81 LMNA (0.39) PPARGS1PR1S1PR3NPC1ALDH1A1
SCHEMBL1644460 0.81 NR1H4 (0.38) PPARGALDH1A1LMNA
SCHEMBL1645409 0.81 PDE2A (0.44) PPARGTAS1R3TAS1R1

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 BRPF1 2308/4885IDO1 3128/4885KCNH2 33/4885

“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.