SCHEMBL6605072

SCHEMBL6605072

O=C(O)Cc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.58
P2RX7 Q99572 15/20 0.48
FFAR4 Q5NUL3 1/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
RXRA P19793 1/20 0.46
VHL P40337 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 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
SCHEMBL29718508 1.00 PTGS2 (0.58) PTGS2P2RX7FFAR4NR1H2NR1H3
SCHEMBL2575859 0.85 P2RX7 (0.48) PTGS2P2RX7NR1H3
SCHEMBL4439411 0.84 PTGS2 (0.49) PTGS2P2RX7RXRA
SCHEMBL187791 0.82 POLQ (0.61) PTGS2MEN1ALDH1A1KMT2A
SCHEMBL29718585 0.82 POLQ (0.61) PTGS2MEN1ALDH1A1KMT2A
SCHEMBL22798814 0.81 AKR1B1 (0.58) PTGS2MAPT
SCHEMBL30428048 0.81 PTGS2 (0.54) PTGS2MAPTRXRA
SCHEMBL29525642 0.81 PTGS2 (0.57) PTGS2P2RX7FFAR4RXRA
SCHEMBL305056 0.81 PTGS2 (0.57) PTGS2P2RX7FFAR4RXRA
SCHEMBL2429479 0.81 PTGS2 (0.54) PTGS2MAPTRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 US disclosed
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
US-11524938-B2 Aromatic sulfonamide derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-13 US disclosed
US-20220324807-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
CN-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 CN disclosed
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 US disclosed
WO-2013049164-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS ABBVIE INC. (US) 2013-04-04 WO disclosed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 WO disclosed
CN-1190432-C Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2005-02-23 CN disclosed
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM P.I.C. 2004-09-09 US disclosed
US-6747030-B1 CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS SMITHKLINE BEECHAM P.L.C. (GB) 2004-06-08 US disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed
CN-1399635-A Piperazing derivatives as 5-HT1B antagonists SMITHKLINE BEECHAM PLC (GB) 2003-02-26 CN disclosed
EP-1216239-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2002-06-26 EP disclosed
WO-2001023374-A1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-05 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 (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-20220324807-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 PTGS2 2521/4885P2RX7 885/4885FFAR4 2366/4885
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL PTGS2 3770/4885P2RX7 2494/4885FFAR4 386/4885
US-20040176388-A1 Piperazine derivatives as 5-HT1B antagonists HTR1B, HTR2B, HTR2A PTGS2 396/4885P2RX7 130/4885FFAR4 384/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL PTGS2 2511/4885P2RX7 1264/4885FFAR4 472/4885
US-11524938-B2 Aromatic sulfonamide derivatives ARSA, SULT2A1, TPST2 PTGS2 2521/4885P2RX7 885/4885FFAR4 2366/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL PTGS2 2511/4885P2RX7 1264/4885FFAR4 472/4885
US-20130085142-A1 SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1E, CACNA1D PTGS2 862/4885P2RX7 234/4885FFAR4 1360/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL PTGS2 2511/4885P2RX7 1264/4885FFAR4 472/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL PTGS2 2511/4885P2RX7 1264/4885FFAR4 472/4885

“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.