SCHEMBL6238025

SCHEMBL6238025

O=C(O)c1c(O)c(Cl)cc(Cl)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.62
TTR P02766 3/20 0.58
AKR1C2 P52895 4/20 0.52
AKR1C1 Q04828 4/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
HSD17B10 Q99714 6/20 0.46
TSHR P16473 5/20 0.46
HPGD P15428 4/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
RECQL P46063 2/20 0.43
CASP1 P29466 1/20 0.43
HSPA5 P11021 2/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL29396580 0.88 DPP4 (0.56) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL1229004 0.88 DPP4 (0.56) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL940604 0.86 DPP4 (0.54) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL941588 0.86 DPP4 (0.54) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL5318766 0.86 AKR1C2 (0.61) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL20233406 0.84 DPP4 (0.52) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL2787863 0.84 DPP4 (0.57) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL8797780 0.83 HSD17B10 (0.52) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL28335843 0.81 DPP4 (0.54) DPP4TTRAKR1C2AKR1C1AKR1C4
SCHEMBL9040690 0.80 TTR (0.48) DPP4TTRAKR1C2AKR1C1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119517408-A Method for establishing death prediction model of new-onset type 2 diabetes and application 中南大学湘雅二医院 2025-02-25 CN claimed
US-20220221433-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. 2022-07-14 US claimed
EP-3977112-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES Metabolon Inc. (US) 2022-04-06 EP claimed
CN-113892029-A Mass spectrometry method for detecting metabolites 梅塔博隆股份有限公司 2022-01-04 CN claimed
CN-113816940-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-21 CN claimed
CN-113754634-A Nicotine salts, co-crystals and salt co-crystal complexes R.J.雷诺兹烟草公司 2021-12-07 CN claimed
WO-2020242744-A1 MASS SPECTROMETRY ASSAY METHODS FOR DETECTION OF METABOLITES METABOLON, INC. (US) 2020-12-03 WO claimed
WO-2005021581-A2 INDUCERS OF PLANT DISEASE RESISTANCE VALENT BIOSCIENCES CORPORATION (US) 2005-03-10 WO claimed
US-20050050587-A1 Inducers of plant disease resistance VALENT BIOSCIENCES CORPORATION 2005-03-03 US claimed
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
US-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-04-23 US disclosed
WO-2015183801-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES R. J. REYNOLDS TOBACCO COMPANY (US) 2015-12-03 WO disclosed
US-20150344456-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES R.J. REYNOLDS TOBACCO COMPANY 2015-12-03 US disclosed
WO-2005021581-A2 INDUCERS OF PLANT DISEASE RESISTANCE VALENT BIOSCIENCES CORPORATION (US) 2005-03-10 WO disclosed
US-20050050587-A1 Inducers of plant disease resistance VALENT BIOSCIENCES CORPORATION 2005-03-03 US disclosed
US-20030212074-A1 Phosphate transport inhibitors SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
WO-2001082924-A1 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-08 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 (6 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-20260107971-A1 AEROSOL GENERATING MATERIAL IN DISCRETE PORTIONS COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM3, CHRM1 DPP4 4317/4885TTR 1234/4885AKR1C2 3007/4885
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE ALK, EXOSC4, EXOSC9 DPP4 3033/4885TTR 1438/4885AKR1C2 3511/4885
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM1, CHRM3, ATRIP DPP4 3733/4885TTR 1999/4885AKR1C2 2197/4885
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE CHRM3, CHRM1, CHRM2 DPP4 3767/4885TTR 1354/4885AKR1C2 3187/4885
US-20030212074-A1 Phosphate transport inhibitors SLC34A2, SLC34A3, SLC34A1 DPP4 382/4885TTR 1440/4885AKR1C2 2365/4885
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE ACTN1, ARPC3, ARPC4 DPP4 4240/4885TTR 1327/4885AKR1C2 2984/4885

“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.