SCHEMBL4238380

SCHEMBL4238380

COc1ccc(Cl)cc1C(=O)N1CCC(Nc2nc3ccccc3o2)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 11/20 0.53
HRH1 P35367 2/20 0.49
HTR2B P41595 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
OPRK1 P41145 1/20 0.48
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 3/20 0.47

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 0.93 SSTR5 (0.48) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL8224297 0.90 HCRTR2 (0.48) SSTR5HCRTR1HCRTR2
SCHEMBL8223857 0.89 SSTR5 (0.46) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4245283 0.88 GFER (0.51) SSTR5KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8227080 0.84 SSTR5 (0.46) SSTR5HCRTR1HCRTR2
SCHEMBL4243332 0.83 HCRTR1 (0.60) SSTR5HRH1HTR2BOPRK1HCRTR1
SCHEMBL3660605 0.83 HCRTR1 (0.50) SSTR5HCRTR1HCRTR2
SCHEMBL3656379 0.83 HCRTR1 (0.50) SSTR5HCRTR1HCRTR2
SCHEMBL8225957 0.82 GAA (0.49) SSTR5HCRTR1HCRTR2
SCHEMBL3659905 0.81 KDM4E (0.51) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19

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 SSTR5 248/4885HRH1 9/4885HTR2B 56/4885

“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.