SCHEMBL1586957

SCHEMBL1586957

Cc1nc(C(=O)N2CCC[C@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00
TSPO P30536 1/20 1.00
OPRK1 P41145 1/20 1.00
HTR2B P41595 1/20 1.00
FFAR4 Q5NUL3 1/20 1.00

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
SCHEMBL29912233 1.00 HCRTR1 (1.00) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778119 0.98 HCRTR2 (0.95) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL29515976 0.94 HCRTR1 (1.00) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL21018247 0.92 HCRTR1 (0.85) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777087 0.91 HCRTR1 (0.83) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777506 0.90 HCRTR1 (0.81) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777860 0.89 HCRTR1 (0.81) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777864 0.89 HCRTR1 (0.81) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1780213 0.87 HCRTR1 (0.78) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778578 0.87 HCRTR1 (0.77) HCRTR1HCRTR2TSPOOPRK1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP claimed
CN-122031471-A Application of SB-408124 in preparation of medicine for delaying thymus recession 三峡大学 2026-05-15 CN disclosed
US-20260085060-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LTD (GB) 2026-03-26 US disclosed
US-12441709-B2 Therapeutic compounds INDIVIOR UK LIMITED (GB) 2025-10-14 US disclosed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 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
US-20240076282-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LIMITED (GB) 2024-03-07 US disclosed
WO-2023218023-A1 THIAZOLOARYL-METHYL SUBSTITUTED CYCLIC HYDRAZINE-N-CARBOXAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-11-16 WO disclosed
EP-4272824-A2 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-11-08 EP disclosed
WO-2011050202-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed
US-20100234417-A1 THYROTROPIN RELEASING HORMONE RECEPTOR-OREXIN RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD. (AU) 2010-09-16 US disclosed
WO-2010031114-A1 NOVEL RECEPTOR HETERO-DIMERS/-OLIGOMERS DIMERIX BIOSCIENCE PTY LTD (AU) 2010-03-25 WO disclosed
US-20100021457-A1 DETECTION SYSTEM AND USES THEREFOR DIMERIX BIOSCIENCE PTY LTD. (AU) 2010-01-28 US disclosed
EP-2080012-A1 DETECTION SYSTEM AND USES THEREFOR Dimerix Bioscience Pty.Ltd. (AU) 2009-07-22 EP disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
WO-2008055313-A1 DETECTION SYSTEM AND USES THEREFOR DIMERIX BIOSCIENCE PTY LTD (AU) 2008-05-15 WO disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 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 (6 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 408/4885
US-20240076282-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 270/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 267/4885
US-12441709-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 270/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 267/4885
US-20260085060-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 333/4885

“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.