SCHEMBL903254

SCHEMBL903254

Cc1ccc(-n2nccn2)c(C(=O)N2CCNCC[C@H]2C)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.58
HCRTR1 O43613 15/20 0.58
CYP3A4 P08684 1/20 0.58
NR1I2 O75469 1/20 0.54
ADRA2B P18089 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL8217802 1.00 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4NR1I2ADRA2B
SCHEMBL17830177 1.00 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4NR1I2ADRA2B
SCHEMBL2904344 1.00 HCRTR2 (0.58) HCRTR2HCRTR1CYP3A4NR1I2ADRA2B
SCHEMBL12024777 0.88 HCRTR1 (0.57) HCRTR2HCRTR1CYP3A4
SCHEMBL23018152 0.86 HCRTR2 (0.62) HCRTR2HCRTR1CYP3A4
Hydrochloric Acid SCHEMBL21612201 0.85 HCRTR2 (0.54) HCRTR2HCRTR1CYP3A4
SCHEMBL19196928 0.85 HCRTR1 (0.56) HCRTR2HCRTR1CYP3A4
SCHEMBL19196774 0.85 HCRTR1 (0.56) HCRTR2HCRTR1CYP3A4
SCHEMBL2906415 0.85 HCRTR2 (0.57) HCRTR2HCRTR1
SCHEMBL2906417 0.85 HCRTR2 (0.57) HCRTR2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688773-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2026-02-11 EP claimed
WO-2024201424-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT BIOPHORE INDIA PHARMACEUTICALS PVT. LTD (IN) 2024-10-03 WO claimed
EP-4688773-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2026-02-11 EP disclosed
WO-2024201424-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT BIOPHORE INDIA PHARMACEUTICALS PVT. LTD (IN) 2024-10-03 WO disclosed
EP-3412665-B1 SUVOREXANT INTERMEDIATES AND PREPARATION METHODS THEREOF ZHEJIANG HUAHAI PHARM CO LTD (CN) 2021-03-03 EP disclosed
EP-3177616-B1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT SANDOZ AG (CH) 2021-02-24 EP disclosed
EP-3177616-B1 NOVEL ROUTES OF SYNTHESIS FOR THE PREPARATION OF SUVOREXANT SANDOZ AG (CH) 2021-02-24 EP disclosed
CN-107304204-B Method for preparing N-heterocyclic compound 广东东阳光药业有限公司 2020-12-22 CN disclosed
US-10618891-B2 Suvorexant intermediate and preparation method thereof ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-04-14 US disclosed
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2019-09-12 US disclosed
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2019-02-07 US disclosed
US-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-08-11 US disclosed
US-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-08-11 US disclosed
US-7951797-B2 1-heteroaryl-4-benzoyl-5-(alkyl or cycloalkyl)-1,4-diazepanes; sleep disorders, analgesics, obesity, Parkinson's disease, psychosis and schizophrenia; 6-fluoro-2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline for example MERCK SHARP & DOHME CORP. (US) 2011-05-31 US disclosed
US-7951797-B2 1-heteroaryl-4-benzoyl-5-(alkyl or cycloalkyl)-1,4-diazepanes; sleep disorders, analgesics, obesity, Parkinson's disease, psychosis and schizophrenia; 6-fluoro-2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline for example MERCK SHARP & DOHME CORP. (US) 2011-05-31 US disclosed
US-7951797-B2 1-heteroaryl-4-benzoyl-5-(alkyl or cycloalkyl)-1,4-diazepanes; sleep disorders, analgesics, obesity, Parkinson's disease, psychosis and schizophrenia; 6-fluoro-2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline for example MERCK SHARP & DOHME CORP. (US) 2011-05-31 US disclosed
WO-2008069997-A1 SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-12 WO disclosed
US-20080132490-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2008-06-05 US disclosed
US-20080132490-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2008-06-05 US disclosed
US-20080132490-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2008-06-05 US 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 (5 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-20080132490-A1 Substituted diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 HCRTR2 1/4885HCRTR1 2/4885CYP3A4 2856/4885
US-20190040052-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF COMT, KMO, CYP4B1 HCRTR2 28/4885HCRTR1 62/4885CYP3A4 5/4885
US-10618891-B2 Suvorexant intermediate and preparation method thereof COMT, KMO, CYP4B1 HCRTR2 28/4885HCRTR1 62/4885CYP3A4 5/4885
US-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR2 1/4885HCRTR1 2/4885CYP3A4 2856/4885
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF HCRTR1, HCRTR2, GLP1R HCRTR2 2/4885HCRTR1 1/4885CYP3A4 367/4885

“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.