SCHEMBL8224313

SCHEMBL8224313

O=C(c1ccccc1C(F)(F)F)N1CC[C@@H](Nc2nc3ccc(F)c(F)c3o2)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
SCD O00767 4/20 0.39
RBP4 P02753 2/20 0.38
HSD11B1 P28845 1/20 0.38
CYP3A4 P08684 1/20 0.38
GBA1 P04062 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
SCHEMBL4394061 0.93 MGLL (0.37) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL8224518 0.90 CYP2C9 (0.42) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4241934 0.88 HCRTR1 (0.44)
SCHEMBL4241941 0.88 HCRTR1 (0.44)
SCHEMBL4244110 0.87 HSD11B1 (0.46) MGLLHSD11B1
SCHEMBL3657087 0.87 HSD11B1 (0.46) MGLLHSD11B1
SCHEMBL4242122 0.85 HCRTR2 (0.46) MGLLHSD11B1
SCHEMBL4242113 0.85 HCRTR2 (0.46) MGLLHSD11B1
SCHEMBL8224551 0.84 HCRTR1 (0.47) CYP2C9CYP2C19HTR2BMAPK14RBP4
SCHEMBL4238127 0.83 MGLL (0.48) MGLLCYP2C9CYP2C19HTR2BMAPK14

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 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

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 1527/4885CYP2C9 510/4885CYP2C19 407/4885

“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.