SCHEMBL4240919

SCHEMBL4240919

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
KDM5A P29375 1/20 0.46
HCRTR1 O43613 8/20 0.46
NAAA Q02083 3/20 0.46
SSTR5 P35346 1/20 0.44
HCRTR2 O43614 3/20 0.44
MGLL Q99685 2/20 0.43
MCHR1 Q99705 1/20 0.42
GFER P55789 1/20 0.42
EGFR P00533 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL4240915 1.00 HSD11B1 (0.48) HSD11B1KDM5AHCRTR1NAAASSTR5
SCHEMBL4238652 0.93 HCRTR1 (0.46) HSD11B1KDM5AHCRTR1NAAASSTR5
SCHEMBL4238658 0.93 HCRTR1 (0.46) HSD11B1KDM5AHCRTR1NAAASSTR5
SCHEMBL3658308 0.92 MGLL (0.50) HSD11B1KDM5AHCRTR1SSTR5HCRTR2
SCHEMBL4241791 0.92 MGLL (0.50) HSD11B1KDM5AHCRTR1SSTR5HCRTR2
SCHEMBL8224551 0.88 HCRTR1 (0.47) HCRTR1NAAASSTR5HCRTR2GFER
SCHEMBL4244110 0.85 HSD11B1 (0.46) HSD11B1KDM5AHCRTR1SSTR5HCRTR2
SCHEMBL3657087 0.85 HSD11B1 (0.46) HSD11B1KDM5AHCRTR1SSTR5HCRTR2
SCHEMBL8226384 0.84 HSD11B1 (0.46) HSD11B1KDM5AHCRTR1SSTR5HCRTR2
SCHEMBL4245764 0.84 HCRTR1 (0.45) KDM5AHCRTR1SSTR5HCRTR2MGLL

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 HSD11B1 164/4885KDM5A 2654/4885HCRTR1 1/4885

“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.