SCHEMBL270942

SCHEMBL270942

Cc1nc(C(=O)O)c(-c2ccc(F)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.51
HCRTR2 O43614 13/20 0.51
PTGS2 P35354 2/20 0.50
HAO2 Q9NYQ3 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL27854218 0.89 HCRTR1 (0.52) HCRTR1HCRTR2PTGS2
SCHEMBL268643 0.87 KDM4E (0.49) HCRTR1HCRTR2ALOX5
SCHEMBL1257080 0.86 HCRTR1 (0.50) HCRTR1HCRTR2PTGS2
SCHEMBL80459 0.85 ALOX5 (0.61) HCRTR1HCRTR2PTGS2ALOX5
SCHEMBL269233 0.84 SMN1; SMN2 (0.51) HCRTR1HCRTR2PTGS2ALOX5
SCHEMBL925813 0.84 PTGS2 (0.49) HCRTR1HCRTR2PTGS2ALOX5
SCHEMBL1398894 0.84 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL20780901 0.84 PTGS2 (0.47) HCRTR1HCRTR2PTGS2ALOX5
SCHEMBL269217 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL270041 0.83 HCRTR1 (0.44) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778846-A 1, 2-diamido-ethylene derivatives as orexin antagonists ACTELION PHARMACEUTICALS LTD 2010-07-14 CN claimed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
US-7468367-B2 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2008-12-23 US claimed
EP-1456203-B1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2008-08-20 EP claimed
US-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists SMITHKLINE BEECHAM PLC (GB) 2005-07-21 US claimed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators ASTRAZENECA AB (SE) 2024-09-10 US disclosed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
WO-2003051873-A1 PIPERAZINE COMPOUNDS AND THEIR PHAMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed
WO-2003051872-A1 ETHYLENE DIAMINE DERIVATIVES AND THEIR USE AS OREXIN-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-26 WO disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO disclosed
WO-2003002561-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO disclosed
WO-2002090355-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed
WO-2002089800-A2 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed
WO-2002044172-A1 MORPHOLINE DERIVATIVES AS ANTAGONISTS OF OREXIN RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-06 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 (4 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-20050159421-A1 Ethylene diamine derivatives and their use as orexin-receptor antagonists HCRTR2, HCRTR1, GRPR HCRTR1 2/4885HCRTR2 1/4885PTGS2 2253/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885PTGS2 1820/4885
US-12084437-B2 Halo-substituted piperidines as orexin receptor modulators HCRTR2, HCRTR1, OPRD1 HCRTR1 2/4885HCRTR2 1/4885PTGS2 1184/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885PTGS2 1820/4885

“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.