SCHEMBL1644796

SCHEMBL1644796

CCNc1cc(F)c([C@@H](C)NC(=O)c2ccc3cc(C4(C)CC4)ccc3c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
CYP17A1 P05093 2/20 0.35
LMNA P02545 1/20 0.34
PPARG P37231 7/20 0.33
AKT1 P31749 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 2/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL1285366 0.86 CTSL (0.35) PDE2ACYP17A1PPARGAKT1ROCK2
SCHEMBL1285369 0.86 CTSL (0.35) PDE2ACYP17A1PPARGAKT1ROCK2
SCHEMBL1643661 0.82 CCR1 (0.37) PDE2ALMNAPPARGAKT1IDO1
SCHEMBL1645409 0.82 PDE2A (0.44) PDE2APPARGTAS1R3TAS1R1
SCHEMBL1644460 0.82 NR1H4 (0.38) PDE2ACYP17A1LMNAPPARG
SCHEMBL1643314 0.81 CYP17A1 (0.39) PDE2ACYP17A1TAS1R3TAS1R1ROCK2
SCHEMBL14378312 0.80 CYP17A1 (0.36) PDE2ACYP17A1LMNAPPARGAKT1
SCHEMBL1644704 0.79 BRPF1 (0.34) LMNAPPARGTAS1R3TAS1R1ROCK2
SCHEMBL1643362 0.77 MCHR1 (0.35) PDE2ALMNAPPARGTAS1R3TAS1R1
SCHEMBL1645220 0.77 PDE2A (0.36) PDE2ALMNAPPARG

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 1116/4885CYP17A1 4396/4885LMNA 2439/4885

“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.