SCHEMBL4246788

SCHEMBL4246788

COc1cccc(OC)c1C(=O)N1CCC(Nc2nc3c(Cl)cccc3s2)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HCRTR1 O43613 11/20 0.44
HCRTR2 O43614 9/20 0.44
ROCK2 O75116 1/20 0.44
DYRK1A Q13627 1/20 0.43
KMT2A Q03164 1/20 0.42
KDM5A P29375 1/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 1/20 0.41
CHKA P35790 1/20 0.41
CHKB Q9Y259 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
SCHEMBL4246777 1.00 MAPT (0.44) MAPTHCRTR1HCRTR2ROCK2DYRK1A
SCHEMBL4249175 0.89 NPC1 (0.47) MAPTHCRTR1HCRTR2DYRK1AKDM5A
SCHEMBL3653648 0.89 NPC1 (0.47) MAPTHCRTR1HCRTR2DYRK1AKDM5A
SCHEMBL8224755 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL3656983 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL4243029 0.84 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL8224436 0.83 HCRTR1 (0.45) HCRTR1HCRTR2KDM5A
SCHEMBL3658083 0.81 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3658078 0.81 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL13769579 0.79 HCRTR1 (0.59) HCRTR1HCRTR2

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 MAPT 2754/4885HCRTR1 1/4885HCRTR2 2/4885

“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.