SCHEMBL227731

SCHEMBL227731

O=C(O)c1ccccc1N1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
PTPN1 P18031 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 5/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 2/20 0.51
HTT P42858 2/20 0.51
USP2 O75604 1/20 0.51
GLA P06280 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYC P01106 3/20 0.50
KEAP1 Q14145 1/20 0.50
NR4A1 P22736 1/20 0.50
MAPK1 P28482 1/20 0.48
ENPP2 Q13822 1/20 0.48

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
SCHEMBL1715918 1.00 NPC1 (0.71) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL29467270 0.98 NPC1 (0.68) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL2492855 0.98 NPC1 (0.68) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL28771676 0.93 NPC1 (0.63) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL8048603 0.90 ALDH1A1 (0.61) NPC1PTPN1L3MBTL1ALDH1A1ALOX15
SCHEMBL10607126 0.89 NPC1 (0.62) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL28086833 0.84 NPC1 (0.70) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL10684744 0.84 NPC1 (0.65) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL605593 0.83 NPC1 (1.00) NPC1PTPN1L3MBTL1GAAALDH1A1
SCHEMBL3808106 0.83 ALDH1A1 (0.70) NPC1ALDH1A1ALOX15SMN1; SMN2POLB

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154937-A1 CHLORINE-RESISTANT POLYETHYLENE COMPOUND AND ARTICLES MADE THEREFROM Fina Technology, Inc. (US) 2017-04-19 EP claimed
WO-2015191721-A1 CHLORINE-RESISTANT POLYETHYLENE COMPOUND AND ARTICLES MADE THEREFROM FINA TECHNOLOGY, INC. (US) 2015-12-17 WO claimed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
CN-102245024-A Inhibitors of diacylglycerol aclytransferase VIA PHARMACEUTICALS INC 2011-11-16 CN claimed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP claimed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO claimed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US claimed
JP-57095976-A None JP disclosed
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
EP-4077309-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2022-10-26 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed
CN-114671818-A Compound and derivatizing reagent, and method for synthesizing compound 学校法人东京理科大学 2022-06-28 CN disclosed
US-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE THLIVERIS, ANDREW T. 2022-01-06 US disclosed
EP-0838457-A1 NOVEL PYRIDINE DERIVATIVES AND MEDICINES CONTAINING THE SAME AS ACTIVE INGREDIENT SS Pharmaceutical Co., Ltd. (JP) 1998-04-29 EP disclosed
US-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0716083-A1 BENZAZEPINE DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE FOR THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
US-4611016-A ORGANIC POLYMERIC MATERIALS CIBA-GEIGY CORP. (US) 1986-09-09 US disclosed
JP-S5795976-A PIPERIDINOPHENYLCARBOXYLIC ACID DERIVATIVE AND ITS PREPARATION NISSAN CHEM IND LTD 1982-06-15 JP disclosed
US-4325863-A POLYMERS SANDOZ LTD. (CH) 1982-04-20 US disclosed
WO-1980001566-A1 BENZOFURAN-2-ONIC OR INDOLIN-2-ONIC COMPOUNDS AS STABILIZERS OF POLYMERS SANDOZ AG (CH) 1980-08-07 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 (2 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-20220002255-A1 UBE2K MODULATORS AND METHODS FOR THEIR USE UBE2N, UBE2B, UBE2E1 NPC1 1821/4885PTPN1 3299/4885L3MBTL1 4151/4885
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 NPC1 1345/4885PTPN1 3694/4885L3MBTL1 1674/4885

“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.