SCHEMBL758017

SCHEMBL758017

CCC1CC(N)CC(CC)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CETP P11597 5/20 0.46
NR1H2 P55055 1/20 0.40
PREP P48147 3/20 0.37
DPP4 P27487 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 1/20 0.34
ABCB1 P08183 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
SCHEMBL764555 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL9885645 1.00 CHRM2 (0.46) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL13845643 0.91 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL24509252 0.85 CHRM2 (0.45) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL14319916 0.85 CHRM2 (0.47) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL3942600 0.84 CETP (0.58) CETPNR1H2ABCB1
SCHEMBL13609119 0.84 CETP (0.58) CETPNR1H2ABCB1
SCHEMBL12178814 0.82 CHRM2 (0.51) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL759059 0.81 CETP (0.44) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL4071602 0.81 CETP (0.44) CHRM2CHRM1CHRM3CETPNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120208816-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-08-16 US disclosed
EP-2463282-A1 4-Benzylamino-1-carboxyacyl-piperidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-06-13 EP disclosed
US-8193349-B2 4-benzylamino-1-carboxylacyl-piperidine derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
EP-2207775-B1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2012-03-21 EP disclosed
EP-2207775-A1 4-BENZYLAMINO-1-CARBOXYACYL-PIPERIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLIPIDEMIA OR ARTERIOSCLEROSIS Novartis Ag (CH) 2010-07-21 EP 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

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-20120264773-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CHRM2 1620/4885CHRM1 907/4885CHRM3 2224/4885
US-20090118287-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CHRM2 1620/4885CHRM1 907/4885CHRM3 2224/4885
US-20120208816-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CHRM2 1620/4885CHRM1 907/4885CHRM3 2224/4885

“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.