SCHEMBL3615560

SCHEMBL3615560

COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 1.00
HCRTR1 O43613 15/20 1.00
HTR1A P08908 1/20 0.82
OPRM1 P35372 1/20 0.82
DRD3 P35462 1/20 0.82
HTR2B P41595 1/20 0.82
KCNH2 Q12809 1/20 0.82
GALR3 O60755 1/20 0.58
NR2F2 P24468 1/20 0.58
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 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
SCHEMBL3622483 0.94 HCRTR2 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3622904 0.90 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3624130 0.90 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3622216 0.89 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3623216 0.88 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3617294 0.87 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2278091 0.87 HCRTR2 (0.77) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2312870 0.87 HCRTR2 (0.77) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL3625065 0.86 HCRTR1 (1.00) HCRTR2HCRTR1HTR1AOPRM1DRD3
SCHEMBL2279797 0.86 HCRTR2 (0.76) HCRTR2HCRTR1HTR1AOPRM1DRD3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410142-B2 Bipyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-02 US claimed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 US claimed
EP-2131654-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-12-16 EP claimed
WO-2008108991-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-12 WO claimed
US-8410142-B2 Bipyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-02 US disclosed
US-8410142-B2 Bipyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-02 US disclosed
US-8410142-B2 Bipyridine carboxamide orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-04-02 US disclosed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
US-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2010-03-11 US disclosed
EP-2131654-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-12-16 EP disclosed
WO-2008108991-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-12 WO disclosed
WO-2008108991-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-12 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 (1 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-20100063056-A1 BIPYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 HCRTR2 1/4885HCRTR1 2/4885HTR1A 129/4885

“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.