SCHEMBL3621189

SCHEMBL3621189

Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(F)c(C)c3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 1.00
HCRTR2 O43614 17/20 1.00
HTR1A P08908 1/20 0.62
OPRM1 P35372 1/20 0.62
DRD3 P35462 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
MMP13 P45452 1/20 0.47
MET P08581 1/20 0.42

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
SCHEMBL3621814 0.91 HCRTR1 (0.83) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3622240 0.88 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3621999 0.86 HCRTR1 (0.75) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3624251 0.86 HCRTR1 (0.77) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3615560 0.84 HCRTR2 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3622216 0.84 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3621447 0.84 HCRTR1 (1.00) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3624546 0.84 HCRTR1 (0.77) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3622189 0.84 HCRTR1 (0.75) HCRTR1HCRTR2HTR1AOPRM1DRD3
SCHEMBL3612984 0.83 HCRTR1 (0.90) HCRTR1HCRTR2HTR1AOPRM1DRD3

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 9 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
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
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 HCRTR1 2/4885HCRTR2 1/4885HTR1A 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.