SCHEMBL1644118

SCHEMBL1644118

CCNc1ccc([C@@H](C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
PDE2A O00408 3/20 0.36
DDR2 Q16832 7/20 0.36
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
CA2 P00918 1/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1643666 0.92 PDE2A (0.39) RORCPDE2ADDR2NR1I2CYP2C9
SCHEMBL1643203 0.91 LMNA (0.41) RORCDDR2NR1I2CYP2C9CA2
SCHEMBL1285387 0.87 TRPV1 (0.39) RORCPDE2ANR1I2CYP2C9CA2
SCHEMBL1643883 0.86 PDE2A (0.33) RORCPDE2ANR1I2CYP2C9MEN1
SCHEMBL1644603 0.83 MEN1 (0.37) PDE2ALMNAALDH1A1MEN1KMT2A
SCHEMBL1643659 0.81 LMNA (0.40) LMNAALDH1A1
SCHEMBL1645545 0.80 PDE2A (0.42) RORCPDE2ADDR2LMNAALDH1A1
SCHEMBL1644338 0.79 NR1H4 (0.48) PDE2ALMNAALDH1A1
SCHEMBL1644517 0.79 PDE2A (0.37) PDE2A
SCHEMBL264324 0.78 PDE2A (0.41) PDE2AMAPK1KMT2A

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 RORC 2710/4885PDE2A 1116/4885DDR2 2428/4885

“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.