SCHEMBL4238652

SCHEMBL4238652

O=C(c1ccccc1OC(F)(F)C(F)F)N1CC[C@@H](Nc2nc3ccc(F)cc3o2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.46
HCRTR2 O43614 2/20 0.45
NAAA Q02083 4/20 0.44
KDM5A P29375 1/20 0.43
HSD11B1 P28845 1/20 0.41
GFER P55789 1/20 0.40
SSTR5 P35346 3/20 0.39
LMNA P02545 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL4238658 1.00 HCRTR1 (0.46) HCRTR1HCRTR2NAAAKDM5AHSD11B1
SCHEMBL4240919 0.93 HSD11B1 (0.48) HCRTR1HCRTR2NAAAKDM5AHSD11B1
SCHEMBL4240915 0.93 HSD11B1 (0.48) HCRTR1HCRTR2NAAAKDM5AHSD11B1
SCHEMBL4245759 0.92 HCRTR1 (0.45) HCRTR1HCRTR2KDM5ASSTR5OPRK1
SCHEMBL4245764 0.92 HCRTR1 (0.45) HCRTR1HCRTR2KDM5ASSTR5OPRK1
SCHEMBL4242113 0.86 HCRTR2 (0.46) HCRTR1HCRTR2KDM5AHSD11B1GFER
SCHEMBL4242122 0.86 HCRTR2 (0.46) HCRTR1HCRTR2KDM5AHSD11B1GFER
SCHEMBL8224551 0.85 HCRTR1 (0.47) HCRTR1HCRTR2NAAAGFERSSTR5
SCHEMBL4246173 0.85 HCRTR1 (0.47) HCRTR1HCRTR2KDM5AHSD11B1GFER
SCHEMBL4246179 0.85 HCRTR1 (0.47) HCRTR1HCRTR2KDM5AHSD11B1GFER

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 8 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-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 2/4885NAAA 1224/4885

“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.