SCHEMBL845818

SCHEMBL845818

O=C(O)c1cnc2ccc(F)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.62
HCAR2 Q8TDS4 1/20 0.46
EGLN1 Q9GZT9 1/20 0.44
LDHA P00338 1/20 0.43
PSMD14 O00487 1/20 0.43
NR4A2 P43354 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPM8 Q7Z2W7 4/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
GABRA1 P14867 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
P4HA1 P13674 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PDPK1 O15530 1/20 0.40
ALDH1A1 P00352 1/20 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
Hydrochloric Acid SCHEMBL6085748 0.98 MGAM (0.60) MGAMHCAR2EGLN1LDHAPSMD14
SCHEMBL4158038 0.86 MGAM (0.62) MGAMHCAR2EGLN1LDHAPSMD14
SCHEMBL10465639 0.85 MGAM (0.70) MGAMPSMD14MAPTPDGFRBPDGFRA
SCHEMBL3868878 0.85 HPGDS (0.50) MGAMPSMD14MAPTMAPK1TNIK
Hydrochloric Acid SCHEMBL6086242 0.85 MGAM (0.60) MGAMHCAR2EGLN1LDHAPSMD14
SCHEMBL12686640 0.85 MGAM (0.44) MGAMMAPTMAPK1KDM4ETSHR
SCHEMBL15517731 0.81 HTT (0.52) PSMD14MAPTMAPK1KDM4EALDH1A1
SCHEMBL61876 0.81 MGAM (0.64) MGAMPSMD14MAP4K4PDGFRBPDGFRA
SCHEMBL30447871 0.80 GRM1 (0.45) MGAMLMNA
SCHEMBL20023713 0.80 GRM1 (0.45) MGAMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3528813-B1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ABS DEV 1 INC (US) 2025-04-16 EP disclosed
US-20240391925-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC (US) 2024-11-28 US disclosed
US-12077543-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2024-09-03 US disclosed
CN-116854693-A P2X 3 And/or P2X 2/3 Compounds and methods 阿沙纳生物科学公司 2023-10-10 CN disclosed
CN-109996546-B P2X 3 And/or P2X 2/3 Compounds and methods 阿沙纳生物科学公司 2023-06-27 CN disclosed
US-20220227774-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2022-07-21 US disclosed
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods ASANA BIOSCIENCES, LLC (US) 2022-05-24 US disclosed
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2020-06-18 US disclosed
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES, LLC 2020-06-18 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-06-21 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 WO disclosed
EP-0394553-B1 Use of fluorine containing pyridone carboxylic acid derivatives for preparing a medicament for the treatment of HIV infections DAIICHI SEIYAKU CO (JP) 1995-06-21 EP disclosed
EP-0470252-A1 ANTI-HIV DRUG DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-12 EP disclosed
EP-0394553-A2 Use of fluorine containing pyridone carboxylic acid derivatives for preparing a medicament for the treatment of HIV infections DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 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 (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-20220227774-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 MGAM 4871/4885HCAR2 433/4885EGLN1 1270/4885
US-11339169-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 MGAM 4871/4885HCAR2 433/4885EGLN1 1270/4885
US-20200190096-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 MGAM 4871/4885HCAR2 433/4885EGLN1 1270/4885
US-12077543-B2 P2X3 and/or P2X2/3 compounds and methods P2RX3, P2RX6, P2RX2 MGAM 4871/4885HCAR2 433/4885EGLN1 1270/4885
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 MGAM 4767/4885HCAR2 32/4885EGLN1 1780/4885
US-20240391925-A1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS P2RX3, P2RX6, P2RX2 MGAM 4871/4885HCAR2 433/4885EGLN1 1270/4885
US-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof CHRNA7, CHRNA3, CHRNA1 MGAM 3821/4885HCAR2 26/4885EGLN1 4811/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MGAM 4767/4885HCAR2 32/4885EGLN1 1780/4885

“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.