SCHEMBL760600

SCHEMBL760600

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
ATM Q13315 2/20 0.38
SETD7 Q8WTS6 2/20 0.35
CETP P11597 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PKM P14618 1/20 0.34
PARP1 P09874 1/20 0.33
NR1H2 P55055 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9938506 0.84 GLA (0.37) GLAATMCETPDPP4KDM4E
SCHEMBL13609090 0.83 NFKB1 (0.36) GLANFKB1NFKB2RELAATM
SCHEMBL3948695 0.81 ATM (0.39) GLANFKB1NFKB2RELAATM
SCHEMBL757314 0.81 NR1H2 (0.45) CETPDPP4KDM4EPKMNR1H2
SCHEMBL4077274 0.81 ECE1 (0.34) NFKB1NFKB2RELACETP
SCHEMBL758730 0.80 NFKB1 (0.42) GLANFKB1NFKB2RELASETD7
SCHEMBL4069014 0.80 P2RX7 (0.34) NFKB1NFKB2RELA
SCHEMBL17788017 0.80 NFKB1 (0.36) NFKB1NFKB2RELA
SCHEMBL3943564 0.79 CCR3 (0.39) DPP4NR1H2
SCHEMBL12103906 0.77 GLA (0.39) GLAATMCETPDPP4KDM4E

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 33 patents — showing the first 20. 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
EP-2463282-B1 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis NOVARTIS AG (CH) 2013-08-07 EP disclosed
EP-2463282-B1 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis NOVARTIS AG (CH) 2013-08-07 EP disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440682-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8420641-B2 Method of inhibiting CETP activity with 4-benzylamino-1-carboxylacyl-piperidine derivatives NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420641-B2 Method of inhibiting CETP activity with 4-benzylamino-1-carboxylacyl-piperidine derivatives NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420641-B2 Method of inhibiting CETP activity with 4-benzylamino-1-carboxylacyl-piperidine derivatives NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20120264773-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-10-18 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
WO-2009059943-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-05-14 WO disclosed
WO-2009059943-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-05-14 WO disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20090118287-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-05-07 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 (3 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 GLA 1078/4885NFKB1 2700/4885NFKB2 2647/4885
US-20120264773-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 GLA 1078/4885NFKB1 2700/4885NFKB2 2647/4885
US-20090118287-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 GLA 1078/4885NFKB1 2700/4885NFKB2 2647/4885

“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.