SCHEMBL3947848

SCHEMBL3947848

C=CC1CC(=O)CC(Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 7/20 0.43
▸ CETP P11597 3/20 0.42
▸ NR1H2 P55055 2/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ PLA2G10 O15496 1/20 0.41
▸ PLA2G5 P39877 1/20 0.41
▸ KLK5 Q9Y337 6/20 0.40
▸ ABCB1 P08183 3/20 0.39
▸ PRSS1 P07477 3/20 0.39
▸ PRSS2 P07478 3/20 0.39
▸ PRSS3 P35030 3/20 0.39
▸ STS P08842 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL13609025 1.00 KLK7 (0.43) KLK7CETPNR1H2NR1H3PLA2G10
SCHEMBL18711884 0.87 CETP (0.42) KLK7CETPNR1H2NR1H3KLK5
SCHEMBL759185 0.84 CETP (0.52) KLK7CETPNR1H2NR1H3PLA2G10
SCHEMBL13609033 0.84 CETP (0.46) KLK7CETPNR1H2NR1H3PLA2G10
SCHEMBL14311138 0.84 CETP (0.46) KLK7CETPNR1H2NR1H3PLA2G10
SCHEMBL9885652 0.84 CETP (0.52) KLK7CETPNR1H2NR1H3PLA2G10
SCHEMBL3950489 0.81 KLK7 (0.43) KLK7CETPNR1H2NR1H3KLK5
SCHEMBL14319901 0.81 CHRM2 (0.37) CETPNR1H2ABCB1
SCHEMBL13609043 0.81 CHRM2 (0.37) CETPNR1H2ABCB1
SCHEMBL3951314 0.80 CETP (0.40) KLK7CETPNR1H2NR1H3KLK5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049517-B1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2013-11-27 — — EP disclosed
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 — — US disclosed
EP-2049517-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-04-22 — — EP disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 — — WO disclosed
WO-2008009435-A1 AMINO-PIPERIDINE DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2008-01-24 — — WO 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-20090286790-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 KLK7 2016/4885CETP 1/4885NR1H2 7/4885

“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.

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