SCHEMBL82461

SCHEMBL82461

N[C@H](c1ccccc1)[C@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.65
KDM4E B2RXH2 2/20 0.62
ADRA2A P08913 1/20 0.62
ADRA2C P18825 1/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
ALDH1A1 P00352 2/20 0.60
AOC3 Q16853 6/20 0.52
F2 P00734 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL2438955 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL2763479 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL3802461 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL186279 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL82462 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL17514076 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL14959742 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL1131702 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
SCHEMBL8120379 0.89 DPP4 (0.52) DPP4KDM4EADRA2AADRA2CLMNA
Alcohol SCHEMBL8325116 0.89 KDM4E (0.57) DPP4KDM4EADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004608-B1 AN IMPROVED PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM GLADE ORGANICS PRIVATE LTD (IN) 2011-09-14 EP claimed
US-20090281323-A1 PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM GLADE ORGANICS PRIVATE LIMITED (IN) 2009-11-12 US claimed
US-11860084-B2 Quantitative auxiliary-free chirality sensing with a metal probe GEORGETOWN UNIVERSITY (US) 2024-01-02 US disclosed
US-11860084-B2 Quantitative auxiliary-free chirality sensing with a metal probe GEORGETOWN UNIVERSITY (US) 2024-01-02 US disclosed
US-20220113247-A1 QUANTITATIVE AUXILIARY-FREE CHIRALITY SENSING WITH A METAL PROBE GEORGETOWN UNIVERSITY 2022-04-14 US disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 WO disclosed
EP-2970237-B1 HETEROARYL ACID MORPHOLINONE COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2017-09-27 EP disclosed
US-9758495-B2 Heteroaryl acid morpholinone compounds as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2017-09-12 US disclosed
US-9758495-B2 Heteroaryl acid morpholinone compounds as MDM2 inhibitors for the treatment of cancer AMGEN INC. (US) 2017-09-12 US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
WO-2014151863-A1 HETEROARYL ACID MORPHOLINONE COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2014-09-25 WO disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP disclosed
US-6239316-B1 Optically active secondary alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-05-29 US disclosed
EP-0980860-A1 Optically active secondary alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-23 EP disclosed
EP-0893422-A1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-01-27 EP disclosed
US-5089642-A Using diphenyl hydroxyl amines coupled to support by amine nitrogen as separation agents DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-18 US disclosed
US-5041573-A Chromatography separation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-20 US disclosed
US-4966985-A Optically active carboalkylated amino alcohols and their utilization in optical resolution DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-30 US disclosed
EP-0231515-B1 UTILISATION OF OPTICALLY ACTIVE CARBOALKYLATED AMINO ALCOHOLS IN OPTICAL RESOLUTION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-26 EP disclosed
EP-0231515-A1 Utilisation of optically active carboalkylated amino alcohols in optical resolution DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1987-08-12 EP 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-20090281323-A1 PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM CMA1, MED1, MPST DPP4 1092/4885KDM4E 404/4885ADRA2A 629/4885

“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.