SCHEMBL1818858

SCHEMBL1818858

C[C@@H]1CCN(C(=O)OCc2ccccc2)CCN1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ CYP2C19 P33261 1/20 0.62
▸ HTT P42858 1/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HTR2C P28335 1/20 0.53
▸ GRIN2B Q13224 9/20 0.53
▸ CYP2D6 P10635 4/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ CYP3A4 P08684 3/20 0.49
▸ ENPP2 Q13822 1/20 0.48

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
SCHEMBL1821598 1.00 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL17763476 0.99 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL17763475 0.99 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13490134 0.88 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2787453 0.88 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL2579734 0.88 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
Hydrochloric Acid SCHEMBL31066472 0.87 HTR2C (0.56) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL17124890 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4760522 0.85 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL8039932 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577205-A2 SUBSTITUTED PYRAZOLES AND IMIDAZOLES AS OREXIN RECEPTOR ANTAGONISTS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS Hager Biosciences, LLC (US) 2025-07-02 — — EP disclosed
WO-2024044351-A2 SUBSTITUTED PYRAZOLES AND IMIDAZOLES AS OREXIN RECEPTOR ANTAGONISTS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS HAGER BIOSCIENCES, LLC (US) 2024-02-29 — — WO disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2019-09-12 — — US disclosed
EP-3464250-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF Enantia, S.L. (ES) 2019-04-10 — — EP disclosed
US-10030010-B2 Route of synthesis for the preparation of suvorexant SANDOZ AG (CH) 2018-07-24 — — US disclosed
WO-2017211733-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2017-12-14 — — WO disclosed
WO-2017211733-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF ENANTIA, S.L. (ES) 2017-12-14 — — WO disclosed
WO-2017133620-A1 SUVOREXANT INTERMEDIATE AND PREPARATION METHOD THEREOF 浙江华海药业股份有限公司 2017-08-10 — — WO disclosed
US-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant SANDOZ AG (CH) 2017-08-03 — — US disclosed
EP-2392572-A1 Substituted diazepan compounds as orexin receptor antagonists Merck Sharp & Dohme Corp. (US) 2011-12-07 — — EP 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-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

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-20170217947-A1 Novel Route of Synthesis for the Preparation of Suvorexant CYP51A1, CYP3A5, HCRTR2 SMN1; SMN2 2834/4885NPC1 197/4885RAB9A 772/4885
US-20080132490-A1 Substituted diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 SMN1; SMN2 2179/4885NPC1 907/4885RAB9A 2537/4885
US-10030010-B2 Route of synthesis for the preparation of suvorexant CYP51A1, CYP3A5, HCRTR2 SMN1; SMN2 2983/4885NPC1 162/4885RAB9A 890/4885
US-20110195957-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 SMN1; SMN2 2179/4885NPC1 907/4885RAB9A 2537/4885
US-20190276414-A1 CHIRAL RESOLUTION OF AN INTERMEDIATE OF SUVOREXANT AND COCRYSTALS THEREOF HCRTR1, HCRTR2, GLP1R SMN1; SMN2 2947/4885NPC1 1134/4885RAB9A 472/4885

“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.

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