SCHEMBL3945144

SCHEMBL3945144

CCC1CC(=O)C(Cc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.46
▸ NR1H3 Q13133 2/20 0.46
▸ KLK7 P49862 6/20 0.45
▸ KLK5 Q9Y337 5/20 0.44
▸ CETP P11597 3/20 0.42
▸ PRSS1 P07477 2/20 0.41
▸ PRSS2 P07478 2/20 0.41
▸ PRSS3 P35030 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL271604 0.82 NR1H2 (0.59) NR1H2NR1H3KLK7KLK5CETP
SCHEMBL273407 0.82 NR1H2 (0.59) NR1H2NR1H3KLK7KLK5CETP
SCHEMBL5637318 0.82 NR1H2 (0.59) NR1H2NR1H3KLK7KLK5CETP
SCHEMBL1724982 0.79 KLK7 (0.52) NR1H2NR1H3KLK7KLK5CETP
SCHEMBL27767222 0.78 ABCB1 (0.37) NR1H2NR1H3KLK7KLK5CETP
SCHEMBL5504994 0.78 KLK7 (0.47) NR1H2NR1H3KLK7KLK5PRSS1
SCHEMBL23055187 0.77 NR1H2 (0.43) NR1H2NR1H3KLK7PARP1JAK2
SCHEMBL29270916 0.77 NR1H2 (0.43) NR1H2NR1H3KLK7PARP1JAK2
SCHEMBL26944436 0.77 NR1H2 (0.43) NR1H2NR1H3KLK7PARP1JAK2
SCHEMBL29270912 0.77 NR1H2 (0.43) NR1H2NR1H3KLK7PARP1JAK2

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 7 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
US-20090286790-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-19 — — US 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 NR1H2 7/4885NR1H3 5/4885KLK7 2016/4885

“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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