SCHEMBL21963537

SCHEMBL21963537

Cc1cc(C)nc(N2C[C@H]3CNC[C@H]3C2)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.51
HCRTR2 O43614 19/20 0.51

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
SCHEMBL1670922 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL29117985 1.00 HCRTR1 (0.51) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL29367258 0.98 HCRTR1 (0.50) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL15796256 0.98 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL29118005 0.89 ROCK2 (0.50) HCRTR1HCRTR2
SCHEMBL29614755 0.89 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL27029902 0.89 ROCK2 (0.50) HCRTR1HCRTR2
SCHEMBL29118052 0.89 ROCK2 (0.50) HCRTR1HCRTR2
SCHEMBL29118006 0.89 ROCK2 (0.50) HCRTR1HCRTR2
SCHEMBL27029985 0.89 ROCK2 (0.50) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555603-B Improved synthetic methods for preparing (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2025-03-14 CN claimed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN claimed
EP-3880204-B1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-05-15 EP claimed
EP-4010325-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1,2,3-TRIAZOL-2-YL)PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-06-15 EP claimed
CN-114555603-A Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2022-05-27 CN claimed
CN-114555603-B Improved synthetic methods for preparing (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2025-03-14 CN disclosed
EP-4428136-A2 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2024-09-11 EP disclosed
CN-118556061-A Disubstituted octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2024-08-27 CN disclosed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN disclosed
CN-113038952-B Improved synthetic methods for preparing fused heterocyclic compounds as orexin receptor modulators 詹森药业有限公司 2024-08-23 CN disclosed
US-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-07-09 US disclosed
US-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-07-09 US disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 CN disclosed
EP-4010325-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1,2,3-TRIAZOL-2-YL)PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-06-15 EP disclosed
CN-114555603-A Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2022-05-27 CN disclosed
US-20220009932-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-01-13 US disclosed
EP-3880204-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2021-09-22 EP disclosed
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 WO disclosed
WO-2020100011-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-22 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 (2 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-12030887-B2 Synthetic methods of making fused heterocyclic compounds as orexin receptor modulators HCRTR2, HCRTR1, HTR3D HCRTR1 2/4885HCRTR2 1/4885
US-20220009932-A1 IMPROVED SYNTHETIC METHODS OF MAKING FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, HTR3D HCRTR1 2/4885HCRTR2 1/4885

“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.