SCHEMBL4243069

SCHEMBL4243069

O=C(c1ccccc1OCc1ccccc1)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.49
HCRTR1 O43613 2/20 0.49
SSTR5 P35346 6/20 0.47
OPRK1 P41145 1/20 0.47
KDM5A P29375 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
TSHR P16473 1/20 0.41
MGLL Q99685 1/20 0.41
SCN9A Q15858 3/20 0.41
KCNH2 Q12809 1/20 0.41
SSTR1 P30872 1/20 0.40

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
SCHEMBL4243061 1.00 HCRTR2 (0.49) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL4243120 0.90 HCRTR2 (0.60) HCRTR2HCRTR1SSTR5KDM5ALMNA
SCHEMBL4243123 0.90 HCRTR2 (0.60) HCRTR2HCRTR1SSTR5KDM5ALMNA
SCHEMBL8226100 0.88 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL8224297 0.88 HCRTR2 (0.48) HCRTR2HCRTR1SSTR5KDM5ATSHR
SCHEMBL4247535 0.86 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL4247538 0.86 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL3658308 0.85 MGLL (0.50) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL4247626 0.85 HCRTR1 (0.54) HCRTR2HCRTR1SSTR5OPRK1KDM5A
SCHEMBL4241791 0.85 MGLL (0.50) HCRTR2HCRTR1SSTR5OPRK1KDM5A

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 2 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-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 HCRTR2 2/4885HCRTR1 1/4885SSTR5 248/4885

“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.