SCHEMBL1644338

SCHEMBL1644338

CCNc1ccc([C@@H](C)NC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
PDE2A O00408 1/20 0.41
PPARG P37231 10/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 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
SCHEMBL1645545 0.91 PDE2A (0.42) NR1H4PDE2APPARGALDH1A1LMNA
SCHEMBL1643047 0.86 NR1H4 (0.41) NR1H4PDE2AALDH1A1LMNAROCK2
SCHEMBL1644700 0.86 HPGDS (0.42) NR1H4PDE2AALDH1A1LMNAROCK2
SCHEMBL1284683 0.84 NR1H4 (0.47) NR1H4
SCHEMBL1643203 0.84 LMNA (0.41) NR1H4ALDH1A1LMNAROCK2ROCK1
SCHEMBL1643131 0.84 PDE2A (0.45) NR1H4PDE2A
SCHEMBL1644460 0.83 NR1H4 (0.38) NR1H4PDE2APPARGALDH1A1LMNA
SCHEMBL1643125 0.83 CYP17A1 (0.40) NR1H4PDE2APPARGLMNAROCK2
SCHEMBL1643554 0.82 NR1H4 (0.40) NR1H4PDE2APPARGALDH1A1ROCK2
SCHEMBL1644603 0.80 MEN1 (0.37) PDE2AALDH1A1LMNAROCK2ROCK1

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 NR1H4 732/4885PDE2A 1116/4885PPARG 376/4885

“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.