SCHEMBL4241791

SCHEMBL4241791

O=C(c1ccccc1OC(F)(F)F)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
KDM5A P29375 1/20 0.45
HCRTR2 O43614 8/20 0.45
HCRTR1 O43613 6/20 0.45
SSTR5 P35346 2/20 0.43
HSD11B1 P28845 1/20 0.43
MCHR1 Q99705 1/20 0.41
OPRK1 P41145 1/20 0.40
CACNA1B Q00975 1/20 0.40
EGFR P00533 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL3658308 1.00 MGLL (0.50) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4245764 0.93 HCRTR1 (0.45) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4245759 0.93 HCRTR1 (0.45) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4247535 0.92 HCRTR2 (0.47) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4247538 0.92 HCRTR2 (0.47) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4240915 0.92 HSD11B1 (0.48) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4240919 0.92 HSD11B1 (0.48) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL8224297 0.89 HCRTR2 (0.48) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4247626 0.88 HCRTR1 (0.54) MGLLKDM5AHCRTR2HCRTR1SSTR5
SCHEMBL4247623 0.88 HCRTR1 (0.54) MGLLKDM5AHCRTR2HCRTR1SSTR5

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 4 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
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-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 MGLL 1527/4885KDM5A 2654/4885HCRTR2 2/4885

“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.