SCHEMBL3656702

SCHEMBL3656702

COc1cccc(OC)c1C(=O)N1CC[C@@H](Nc2cnc3cc(F)ccc3n2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.48
HCRTR2 O43614 4/20 0.48
MC4R P32245 1/20 0.46
KCNH2 Q12809 1/20 0.46
PDGFRB P09619 6/20 0.46
PDGFRA P16234 6/20 0.46
ROCK2 O75116 1/20 0.45
CCNA2 P20248 4/20 0.44
CDK2 P24941 4/20 0.44
CDK7 P50613 4/20 0.44
CCNH P51946 4/20 0.44
MNAT1 P51948 4/20 0.44
CCNK O75909 3/20 0.44
CDK12 Q9NYV4 3/20 0.44
KDM5A P29375 2/20 0.44
EGFR P00533 2/20 0.44
INSR P06213 1/20 0.44
LCK P06239 1/20 0.44
ITK Q08881 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
SCHEMBL4239319 1.00 HCRTR1 (0.48) HCRTR1HCRTR2MC4RKCNH2PDGFRB
SCHEMBL8226172 0.92 PDGFRB (0.48) HCRTR1HCRTR2MC4RKCNH2PDGFRB
SCHEMBL4243140 0.90 HCRTR1 (0.48) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL4243127 0.90 HCRTR1 (0.48) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL4244142 0.90 HCRTR2 (0.60) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL3654286 0.90 HCRTR2 (0.60) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL3715567 0.88 HCRTR1 (0.52) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL4249808 0.86 HCRTR1 (0.48) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL4249801 0.86 HCRTR1 (0.48) HCRTR1HCRTR2PDGFRBPDGFRACCNA2
SCHEMBL3655750 0.80 HCRTR1 (0.62) HCRTR1HCRTR2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US claimed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP claimed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO claimed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US claimed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 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 (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-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A HCRTR1 1/4885HCRTR2 2/4885MC4R 250/4885

“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.