SCHEMBL5070043

SCHEMBL5070043

Cc1nc(C(=O)N(CCCOc2ccc(F)c(C)c2)C2CCC2)c(-c2cn[nH]c2)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.46
HCRTR2 O43614 10/20 0.46
ROCK2 O75116 2/20 0.37
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
P2RY12 Q9H244 3/20 0.36
PDE2A O00408 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL5067286 0.90 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL4877479 0.87 HCRTR1 (0.44) HCRTR1HCRTR2PDE3BPDE3AP2RY12
SCHEMBL4778123 0.83 ROCK2 (0.38) HCRTR2ROCK2HRH4FFAR4
SCHEMBL4793782 0.82 HCRTR2 (0.42) HCRTR1HCRTR2ROCK2HRH4FFAR4
SCHEMBL4773029 0.78 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL4771741 0.78 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL4794761 0.77 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL5067294 0.77 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL4768695 0.76 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL4791855 0.70 HCRTR1 (0.42) HCRTR1HCRTR2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US claimed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 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-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885ROCK2 3204/4885

“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.