SCHEMBL4246791

SCHEMBL4246791

Cc1ccccc1C(=O)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.45
HCRTR2 O43614 7/20 0.45
HCRTR1 O43613 6/20 0.45
SSTR5 P35346 1/20 0.45
OPRK1 P41145 1/20 0.43
CCNK O75909 3/20 0.43
CDK12 Q9NYV4 3/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
MNAT1 P51948 2/20 0.42
AURKA O14965 1/20 0.41
PAK1 Q13153 1/20 0.41
CLK1 P49759 1/20 0.41
CHRM1 P11229 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
SCHEMBL3657997 1.00 MGLL (0.45) MGLLHCRTR2HCRTR1SSTR5OPRK1
SCHEMBL8226095 0.93 SSTR5 (0.42) MGLLHCRTR2HCRTR1SSTR5OPRK1
SCHEMBL8218039 0.93 CCNK (0.50) HCRTR2HCRTR1SSTR5OPRK1CCNK
SCHEMBL8224268 0.93 SSTR5 (0.46) HCRTR2HCRTR1SSTR5OPRK1CCNK
SCHEMBL8225977 0.91 SSTR5 (0.46) MGLLHCRTR2HCRTR1SSTR5OPRK1
SCHEMBL8223883 0.90 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL8224320 0.90 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5CCNKCDK12
SCHEMBL8224401 0.89 HCRTR2 (0.40) HCRTR2HCRTR1SSTR5OPRK1CCNK
SCHEMBL4246984 0.89 SSTR5 (0.47) HCRTR2HCRTR1SSTR5OPRK1CCNK
SCHEMBL8224002 0.89 HCRTR2 (0.44) HCRTR2HCRTR1SSTR5OPRK1CCNK

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 MGLL 1527/4885HCRTR2 2/4885HCRTR1 1/4885

“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.