SCHEMBL1645545

SCHEMBL1645545

CCNc1ccc([C@@H](C)NC(=O)c2ccc3cc(C(F)(F)F)ccc3c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.42
DDR2 Q16832 2/20 0.42
PPARG P37231 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGER4 P35408 2/20 0.40
CYP3A4 P08684 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
RORC P51449 1/20 0.40
PTGER2 P43116 1/20 0.39

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
SCHEMBL1644338 0.91 NR1H4 (0.48) PDE2APPARGALDH1A1LMNANR1H4
SCHEMBL1644385 0.87 MAOB (0.43) PDE2ADDR2
SCHEMBL1285062 0.85 PTPN1 (0.44) PDE2ADDR2NPSR1PTGER4
SCHEMBL1643666 0.84 PDE2A (0.39) PDE2ADDR2ALDH1A1LMNARORC
SCHEMBL1642830 0.84 PDE2A (0.46) PDE2A
SCHEMBL1645409 0.84 PDE2A (0.44) PDE2APPARGNPSR1
SCHEMBL1644914 0.83 PDE2A (0.45) PDE2APPARGNPSR1CYP3A4
SCHEMBL1644853 0.83 PDE2A (0.43) PDE2ADDR2NPSR1CYP3A4RORC
SCHEMBL1285051 0.82 TRPV1 (0.42) PDE2ADDR2PTGER4
SCHEMBL1644118 0.80 RORC (0.36) PDE2ADDR2ALDH1A1LMNARORC

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 1116/4885DDR2 2428/4885PPARG 376/4885

“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.