SCHEMBL1721741

SCHEMBL1721741

CC[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.58
BDKRB2 P30411 2/20 0.47
KLK7 P49862 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PARP1 P09874 2/20 0.41
PRMT5 O14744 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
CETP P11597 1/20 0.40
GHSR Q92847 1/20 0.40
MCL1 Q07820 1/20 0.39
AGTR2 P50052 2/20 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
SCHEMBL30421652 1.00 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL28995867 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL14457250 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL475540 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL71548 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL30421047 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL3855580 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL7327353 0.91 ABCB1 (0.58) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL7327892 0.90 ABCB1 (0.57) ABCB1BDKRB2KLK7JAK2JAK1
SCHEMBL29669314 0.90 ABCB1 (0.57) ABCB1BDKRB2KLK7JAK2JAK1

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 13 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
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 ABCB1 96/4885BDKRB2 1848/4885KLK7 2070/4885

“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.