SCHEMBL1644914

SCHEMBL1644914

CCNc1cc(Cl)c([C@@H](C)NC(=O)c2ccc3cc(C(F)(F)F)ccc3c2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.45
PPARG P37231 5/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
AKT1 P31749 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL1645409 0.89 PDE2A (0.44) PDE2APPARGNPSR1TAS1R3TAS1R1
SCHEMBL10271858 0.86 PDE2A (0.46) PDE2APPARGMEN1KMT2AMAPT
SCHEMBL1643884 0.85 PDE2A (0.49) PDE2A
SCHEMBL1645545 0.83 PDE2A (0.42) PDE2APPARGNPSR1CYP3A4
SCHEMBL1643305 0.82 CCR1 (0.41) PDE2APPARGAKT1MEN1KMT2A
SCHEMBL1644460 0.82 NR1H4 (0.38) PDE2APPARGMAPTCYP3A4
SCHEMBL1644853 0.81 PDE2A (0.43) PDE2AAKT1NPSR1CYP3A4TAS1R3
SCHEMBL1645337 0.77 PDE2A (0.42) PDE2A
SCHEMBL1754353 0.76 KMT2A (0.44) PDE2APPARGMEN1KMT2ACYP3A4
SCHEMBL2361366 0.76 KMT2A (0.44) PDE2APPARGMEN1KMT2ACYP3A4

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 1116/4885PPARG 376/4885MRGPRX4 548/4885

“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.