SCHEMBL1644853

SCHEMBL1644853

CCNc1cnc([C@@H](C)NC(=O)c2ccc3cc(C(F)(F)F)ccc3c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
B3GNT2 Q9NY97 1/20 0.42
CYP17A1 P05093 3/20 0.39
CYP3A4 P08684 3/20 0.39
LCK P06239 1/20 0.39
BTK Q06187 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DDR2 Q16832 1/20 0.38
PIN1 Q13526 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PPARD Q03181 1/20 0.37
MAOB P27338 1/20 0.37
RORC P51449 2/20 0.37
AKT1 P31749 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL1643125 0.91 CYP17A1 (0.40) PDE2AB3GNT2CYP17A1CYP3A4NR1I2
SCHEMBL1285295 0.86 PDE2A (0.43) PDE2AB3GNT2CYP17A1CYP3A4NPSR1
SCHEMBL14378143 0.84 PDE2A (0.46) PDE2AB3GNT2CYP17A1CYP3A4LCK
SCHEMBL1645545 0.83 PDE2A (0.42) PDE2ACYP3A4NPSR1DDR2RORC
SCHEMBL1645409 0.82 PDE2A (0.44) PDE2ANPSR1PIN1TAS1R3TAS1R1
SCHEMBL1643314 0.81 CYP17A1 (0.39) PDE2ACYP17A1CYP3A4TAS1R3TAS1R1
SCHEMBL1644914 0.81 PDE2A (0.45) PDE2ACYP3A4NPSR1PIN1TAS1R3
SCHEMBL14378392 0.80 CYP17A1 (0.41) PDE2AB3GNT2CYP17A1CYP3A4NR1I2
SCHEMBL1285428 0.77 CYP17A1 (0.39) PDE2AB3GNT2CYP17A1CYP3A4NR1I2
SCHEMBL1644385 0.77 MAOB (0.43) PDE2ADDR2MAOB

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 1116/4885B3GNT2 621/4885CYP17A1 4396/4885

“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.