SCHEMBL1899129

SCHEMBL1899129

O=C(O)c1c(O)c(F)c(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
DPP4 P27487 1/20 0.36
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL5588961 0.92 MEN1 (0.36) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL31021576 0.92 ESR1 (0.38) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL8517367 0.92 ESR1 (0.38) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL31021567 0.92 GLRA3 (0.39) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL31021584 0.89 DPP4 (0.36) KMT2ADPP4ESR1CA12CA1
SCHEMBL8375873 0.86 ESR1 (0.38) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL721202 0.86 ESR1 (0.41) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL7579018 0.83 ESR1 (0.39) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
Water SCHEMBL1285779 0.83 ESR1 (0.39) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL29773954 0.83 ESR1 (0.39) MEN1KMT2ASMN1; SMN2CRHBPCRHR2

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 126 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
US-20200368256-A1 Treatment for Bacterial Infections WASHINGTON UNIVERSITY (US) 2020-11-26 US claimed
CN-106928046-B A kind of salicylic preparation method of 3,4,5,6- tetrafluoro 常州佳德医药科技有限公司 2019-10-18 CN claimed
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-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-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-20260107968-A1 END PLUG 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-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-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-5744628-A Process for the preparation of esters of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0811601-A1 Process for the preparation of aromatic carbonic acid esters Clariant GmbH (DE) 1997-12-10 EP disclosed
EP-0757028-A1 Process for the preparation of aromatic carbonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-05 EP disclosed
CN-1013114-B Amino and the 5-hydroxyl-6 of 5-, 8-two fluoroquinolone antibacterial agent preparation method of composition WARNER LAMBERT CO (US) 1991-07-10 CN disclosed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
CN-86108942-A Amino and the 5-hydroxyl-6 as the 5-of antimicrobial drug, 8-two fluoroquinolones 1987-11-04 CN disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 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 (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 MEN1 2075/4885KMT2A 1224/4885SMN1; SMN2 3290/4885
US-20200368256-A1 Treatment for Bacterial Infections BPGM, BLVRB, LRBA MEN1 2818/4885KMT2A 4404/4885SMN1; SMN2 4169/4885
US-20260107968-A1 END PLUG COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE ALK, EXOSC4, EXOSC9 MEN1 2616/4885KMT2A 3378/4885SMN1; SMN2 3116/4885
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 MEN1 3576/4885KMT2A 1879/4885SMN1; SMN2 3154/4885
US-20260107969-A1 AEROSOL GENERATING MATERIAL COMPRISING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM1, CHRM3, ATRIP MEN1 3269/4885KMT2A 1448/4885SMN1; SMN2 2658/4885
US-20260042744-A1 NICOTINE SALTS, CO-CRYSTALS, AND SALT CO-CRYSTAL COMPLEXES SLC6A3, NAPRT, SLC6A4 MEN1 3542/4885KMT2A 1768/4885SMN1; SMN2 4347/4885
US-20260060287-A1 AEROSOLIZABLE COMPOSITION INCLUDING A SUBSTITUTED 3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE COMPOUND CHRM3, CHRM1, ADRA1D MEN1 3679/4885KMT2A 1449/4885SMN1; SMN2 1131/4885
US-20260107973-A1 AEROSOL-MODIFYING ADDITIVE COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE CHRM3, CHRM1, CHRM2 MEN1 2276/4885KMT2A 1338/4885SMN1; SMN2 1290/4885
US-20260107972-A1 AEROSOL GENERATING GEL MATERIAL COMPRISING A SUBSTITUTED 3-(1 METHYLPYRROLIDIN-2-YL)PYRIDINE ACTN1, ARPC3, ARPC4 MEN1 3467/4885KMT2A 1276/4885SMN1; SMN2 2569/4885

“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.