SCHEMBL29515976

SCHEMBL29515976

[3H]c1cccc([3H])c1-c1nnc(C[C@@H]2CCCN2C(=O)c2nc(C)sc2-c2ccccc2F)o1

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 0.88
OPRK1 P41145 1/20 0.88
HTR2B P41595 1/20 0.88
FFAR4 Q5NUL3 1/20 0.88

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
SCHEMBL1586957 0.94 HCRTR1 (1.00) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL29912233 0.94 HCRTR1 (1.00) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778119 0.92 HCRTR2 (0.95) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777087 0.87 HCRTR1 (0.83) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL21018247 0.86 HCRTR1 (0.85) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777979 0.84 HCRTR1 (0.77) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1776844 0.84 HCRTR1 (0.76) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777506 0.84 HCRTR1 (0.81) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777864 0.83 HCRTR1 (0.81) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777860 0.83 HCRTR1 (0.81) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
US-20240076282-A1 THERAPEUTIC COMPOUNDS INDIVIOR UK LIMITED (GB) 2024-03-07 US disclosed
US-11753398-B2 Therapeutic compounds C4X DISCOVERY LIMITED (GB) 2023-09-12 US disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
EP-3218007-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CANCER INST NAT SANTE RECH MED (FR) 2022-04-06 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-11753398-B2 Therapeutic compounds HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 270/4885
US-20240076282-A1 THERAPEUTIC COMPOUNDS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 270/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885TSPO 394/4885
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
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885TSPO 267/4885

“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.