SCHEMBL4245283

SCHEMBL4245283

COc1ccc(Cl)cc1C(=O)N1CCCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.51
ALDH1A1 P00352 2/20 0.48
GAA P10253 4/20 0.46
SSTR5 P35346 2/20 0.45
HCRTR2 O43614 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
DRD2 P14416 1/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL3662725 0.95 SSTR5 (0.48) GFERALDH1A1SSTR5HCRTR2KDM4E
SCHEMBL8223857 0.90 SSTR5 (0.46) GFERALDH1A1GAASSTR5HCRTR2
SCHEMBL3660052 0.89 HCRTR1 (0.51) SSTR5HCRTR2HCRTR1
SCHEMBL4239159 0.89 HCRTR1 (0.51) SSTR5HCRTR2HCRTR1
SCHEMBL8224297 0.88 HCRTR2 (0.48) SSTR5HCRTR2HCRTR1
SCHEMBL4238380 0.88 SSTR5 (0.53) ALDH1A1SSTR5HCRTR2KDM4ECYP1A2
SCHEMBL8227080 0.86 SSTR5 (0.46) GAASSTR5HCRTR2HCRTR1
SCHEMBL8225957 0.84 GAA (0.49) GFERGAASSTR5HCRTR2HCRTR1
SCHEMBL3660605 0.83 HCRTR1 (0.50) SSTR5HCRTR2HCRTR1
SCHEMBL3656379 0.83 HCRTR1 (0.50) SSTR5HCRTR2HCRTR1

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 6 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-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 GFER 607/4885ALDH1A1 1037/4885GAA 2803/4885

“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.