SCHEMBL1922498

SCHEMBL1922498

O=C(O)c1ccc(F)c(F)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.57
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
SELL P14151 1/20 0.52
SELP P16109 1/20 0.52
PIM1 P11309 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CYP1A2 P05177 1/20 0.44
LDHA P00338 1/20 0.44
MAP2K1 Q02750 2/20 0.42
MAP2K2 P36507 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
MMP2 P08253 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 2/20 0.40

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
SCHEMBL30410503 1.00 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL31616094 0.89 ALB (0.47) ALBCES2CES1SELLSELP
SCHEMBL13315472 0.84 ALB (0.65) ALBCES2CES1SELLSELP
SCHEMBL7880433 0.82 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL15524526 0.82 SELL (0.64) ALBSELLSELPAKR1C2AKR1C1
SCHEMBL31455903 0.82 ALB (0.57) ALBCES2CES1SELLSELP
SCHEMBL241797 0.81 CES2 (0.70) ALBCES2CES1SELLSELP
SCHEMBL2315628 0.80 CES2 (0.50) ALBCES2CES1ALDH1A1KDM4E
SCHEMBL4355806 0.80 CES2 (0.50) ALBCES2CES1MAP2K1MAP2K2
SCHEMBL5301076 0.79 CES2 (0.67) ALBCES2CES1SELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
JP-10120623-A None JP 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-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE 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
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-20260107967-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-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-20260060287-A1 AEROSOLIZABLE COMPOSITION INCLUDING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND RAI STRATEGIC HOLDINGS INC (US) 2026-03-05 US disclosed
US-20260042744-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES REYNOLDS TOBACCO CO R (US) 2026-02-12 US disclosed
US-7087593-B2 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. (US) 2006-08-08 US disclosed
EP-1432420-A4 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARM INC (US) 2005-11-09 EP disclosed
EP-1432420-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS Acadia Pharmaceuticals Inc. (US) 2004-06-30 EP disclosed
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
EP-0894784-B1 4-FLUOROSALICYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IHARA CHEMICAL IND CO (JP) 2003-01-08 EP disclosed
US-6166246-A 4-fluorosalicyclic acid derivative and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-26 US disclosed
EP-0894784-A1 4-FLUOROSALICYLIC ACID DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1999-02-03 EP disclosed
JP-H10120623-A 4-FLUOROSALICYCLIC ACIDS IHARA CHEM IND CO LTD 1998-05-12 JP 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 (9 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 ALB 214/4885CES2 2975/4885CES1 4691/4885
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE ALK, EXOSC4, EXOSC9 ALB 316/4885CES2 1134/4885CES1 3888/4885
US-20260107967-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EXOSC4, CHRM3 ALB 1175/4885CES2 3347/4885CES1 4736/4885
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 ALB 4314/4885CES2 1714/4885CES1 2141/4885
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM1, CHRM3, ATRIP ALB 68/4885CES2 2673/4885CES1 4229/4885
US-20260042744-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES SLC6A3, NAPRT, SLC6A4 ALB 4050/4885CES2 3638/4885CES1 4774/4885
US-20260060287-A1 AEROSOLIZABLE COMPOSITION INCLUDING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM3, CHRM1, ADRA1D ALB 73/4885CES2 2855/4885CES1 4369/4885
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE CHRM3, CHRM1, CHRM2 ALB 286/4885CES2 2136/4885CES1 4527/4885
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE ACTN1, ARPC3, ARPC4 ALB 187/4885CES2 3131/4885CES1 4378/4885

“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.