SCHEMBL82462

SCHEMBL82462

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
SCHEMBL82461 1.00 DPP4 (0.65) DPP4KDM4EADRA2AADRA2CLMNA
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
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 399 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117399070-B Chiral metal synergistic catalytic system containing chelating ligand and application of chiral metal synergistic catalytic system in asymmetric synthesis of bedaquiline 上海交通大学 2025-06-24 CN claimed
US-20250083126-A1 CHIRAL BIMETALLIC COOPERATIVE CATALYSIS SYSTEM CONTAINING CHELATING LIGAND AND USE THEREOF IN ASYMMETRIC SYNTHESIS OF BEDAQUILINE SHANGHAI JIAO TONG UNIVERSITY (CN) 2025-03-13 US claimed
CN-119552185-A Method for recycling 4-BMA from 4-BMA mother liquor recycling material by using chiral amine 济南大学 2025-03-04 CN claimed
US-12116345-B2 Low-temperature continuous-flow preparation method of bedaquiline SHANGHAI JIAOTONG UNIVERSITY (CN) 2024-10-15 US claimed
US-20240308963-A1 LOW-TEMPERATURE CONTINUOUS-FLOW PREPARATION METHOD OF BEDAQUILINE SPH NO.1 BIOCHEMICAL & PHARMACEUTICAL CO., LTD. (CN) 2024-09-19 US claimed
CN-117399070-A Chiral metal synergistic catalytic system containing chelating ligand and application of chiral metal synergistic catalytic system in asymmetric synthesis of bedaquiline 上海交通大学 2024-01-16 CN claimed
CN-116899502-A Method for preparing bedaquiline by low-temperature continuous flow and prepared product 上海交通大学 2023-10-20 CN claimed
EP-4247380-A1 METHODS OF SYNTHESIZING SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Aclaris Therapeutics, Inc. (US) 2023-09-27 EP claimed
US-11767309-B2 Methods of synthesizing substituted pyridinone-pyridinyl compounds ACLARIS THERAPEUTICS, INC. (US) 2023-09-26 US claimed
US-20230286950-A1 METHODS OF SYNTHESIZING DEUTERATED SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2023-09-14 US claimed
US-7820715-B2 Crystal comprising (2R)-2-propyloctanoic acid and amine ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US claimed
US-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US claimed
US-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US claimed
EP-1741697-A1 CRYSTAL COMPRISING (2R)-2-PROPYLOCTOIC ACID AND AMINE ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
EP-1387846-B1 CATALYST FOR ENANTIOSELECTIVE REDUCTION OF KETONES CENTRE NAT RECH SCIENT (FR) 2006-03-22 EP claimed
US-20060020022-A1 Enantioselective separation method PHARMACIA & UPJOHN COMPANY LLC 2006-01-26 US claimed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US claimed
US-6825370-B2 REACTION OF BORANE AND RANEY NICKEL, COBALT, OR IRON; CYCLIZATION USING AMINOALCOHOL TO PRODUCE OXAZABOROLIDINE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-11-30 US claimed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 EP claimed
US-20040133021-A1 Catalyst for enantioselective reduction of ketones CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2004-07-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 DPP4 987/4885KDM4E 3668/4885ADRA2A 4343/4885
US-20080090907-A1 Crystal Comprising (2R)-2-Propyloctanoic Acid and Amine TAS2R5, FFAR2, HRH2 DPP4 1510/4885KDM4E 2188/4885ADRA2A 43/4885
US-11767309-B2 Methods of synthesizing substituted pyridinone-pyridinyl compounds PIR, PUM1, ZRANB2 DPP4 3244/4885KDM4E 2110/4885ADRA2A 2211/4885
US-20230286950-A1 METHODS OF SYNTHESIZING DEUTERATED SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS PDXK, DHPS, HCCS DPP4 3346/4885KDM4E 3331/4885ADRA2A 1197/4885
US-20040133021-A1 Catalyst for enantioselective reduction of ketones PDK3, ADH1C, ADH5 DPP4 4816/4885KDM4E 1099/4885ADRA2A 2490/4885
US-12116345-B2 Low-temperature continuous-flow preparation method of bedaquiline NDUFA7, UGT1A7, POLQ DPP4 4551/4885KDM4E 1922/4885ADRA2A 570/4885
US-20240308963-A1 LOW-TEMPERATURE CONTINUOUS-FLOW PREPARATION METHOD OF BEDAQUILINE NDUFA7, UGT1A7, POLQ DPP4 4551/4885KDM4E 1922/4885ADRA2A 570/4885
US-20060020022-A1 Enantioselective separation method SLC7A1, SLC10A1, DHCR7 DPP4 814/4885KDM4E 4250/4885ADRA2A 586/4885

“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.