SCHEMBL4244110

SCHEMBL4244110

O=C(c1ccccc1OC(F)(F)F)N1CCC(Nc2nc3ccc(F)c(F)c3o2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
MGLL Q99685 2/20 0.44
KDM5A P29375 1/20 0.44
MCHR1 Q99705 1/20 0.42
HCRTR2 O43614 10/20 0.41
HCRTR1 O43613 8/20 0.41
SSTR5 P35346 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
CACNA1B Q00975 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL3657087 1.00 HSD11B1 (0.46) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4388248 0.93 KDM5A (0.41) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4242122 0.93 HCRTR2 (0.46) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4242113 0.93 HCRTR2 (0.46) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL8226384 0.91 HSD11B1 (0.46) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL8224313 0.87 MGLL (0.42) HSD11B1MGLL
SCHEMBL4389150 0.86 HCRTR1 (0.42) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4240919 0.85 HSD11B1 (0.48) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4240915 0.85 HSD11B1 (0.48) HSD11B1MGLLKDM5AMCHR1HCRTR2
SCHEMBL4241791 0.84 MGLL (0.50) HSD11B1MGLLKDM5AMCHR1HCRTR2

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 164/4885MGLL 1527/4885KDM5A 2654/4885

“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.