SCHEMBL1645220

SCHEMBL1645220

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.36
LMNA P02545 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRAF P15056 1/20 0.34
S1PR1 P21453 1/20 0.34
RORC P51449 1/20 0.34
PPARG P37231 5/20 0.33
BRPF1 P55201 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL1643883 0.92 PDE2A (0.33) PDE2ANR1I2CYP2C9BRAFS1PR1
SCHEMBL1644704 0.87 BRPF1 (0.34) LMNAS1PR1PPARGBRPF1
SCHEMBL1285072 0.86 TRPV1 (0.41) PDE2A
SCHEMBL1643362 0.85 MCHR1 (0.35) PDE2ALMNAPPARGBRPF1
SCHEMBL1643666 0.85 PDE2A (0.39) PDE2ALMNANR1I2CYP2C9RORC
SCHEMBL1645409 0.85 PDE2A (0.44) PDE2APPARGRIPK1
SCHEMBL14377372 0.85 PDE2A (0.38) PDE2ALMNANR1I2CYP2C9BRAF
SCHEMBL1643380 0.85 MAPT (0.38) PPARGBRPF1
SCHEMBL1645194 0.82 HDAC3 (0.41)
SCHEMBL1645337 0.82 PDE2A (0.42) PDE2ABRAFRIPK1

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 1116/4885LMNA 2439/4885NR1I2 787/4885

“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.