SCHEMBL1724586

SCHEMBL1724586

CC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.51
KLK7 P49862 6/20 0.43
KLK5 Q9Y337 5/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
ABCB1 P08183 1/20 0.40
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
STS P08842 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL1721862 0.82 CETP (0.46) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL3942600 0.81 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL13609119 0.81 CETP (0.58) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL1721864 0.80 CETP (0.45) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL759185 0.78 CETP (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL9885652 0.78 CETP (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL3950021 0.77 CETP (0.57) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL1724982 0.77 KLK7 (0.52) CETPKLK7KLK5NR1H2NR1H3
SCHEMBL10386719 0.77 KLK7 (0.51) KLK7KLK5NR1H2NR1H3ABCB1
SCHEMBL10387738 0.77 KLK7 (0.51) KLK7KLK5NR1H2NR1H3ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
US-8759365-B2 Organic compounds NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2404901-A1 1,2-Disubstituted 4-benzylamino-pyrrolidine derivatives as CETP inhibitors useful for the treatment of diseases such as hyperlipidemia or arteriosclerosis Novartis AG (CH) 2012-01-11 EP disclosed
EP-2229356-B1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2011-10-12 EP disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311750-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
EP-2229356-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS Novartis AG (CH) 2010-09-22 EP disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 WO disclosed
WO-2009071509-A1 1,2-DISUBSTITUTED-4-BENZYLAMINO-PYRROLIDINE DERIVATIVES AS CETP INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES SUCH AS HYPERLI PIDEMIA OR ARTERIOSCLEROSIS NOVARTIS AG (CH) 2009-06-11 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-20100311750-A1 ORGANIC COMPOUNDS CETP, NPC1, CES1 CETP 1/4885KLK7 2070/4885KLK5 2583/4885

“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.