SCHEMBL1506463

SCHEMBL1506463

O=C(/C=N/O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.55
RAB9A P51151 15/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
POLB P06746 3/20 0.54
TP53 P04637 2/20 0.54
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
CYP1A2 P05177 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LY96 Q9Y6Y9 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL4590166 1.00 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1506466 1.00 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21393166 0.81 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23917250 0.78 TRPV1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4822117 0.77 CA12 (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10975438 0.76 DRD2 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10975439 0.76 DRD2 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11896022 0.76 NPC1 (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2817628 0.76 MEN1 (0.47) MEN1KMT2ATP53CYP1A2NPSR1
SCHEMBL1673429 0.75 BAZ2B (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
EP-1761522-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2011-10-12 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 WO disclosed
EP-1761522-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 WO disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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 (4 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP NPC1 11/4885RAB9A 3645/4885MEN1 3533/4885
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP NPC1 8/4885RAB9A 470/4885MEN1 3703/4885
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 NPC1 7/4885RAB9A 818/4885MEN1 1183/4885
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia APOB, LIPC, PCSK9 NPC1 12/4885RAB9A 1375/4885MEN1 1329/4885

“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.