SCHEMBL4242298

SCHEMBL4242298

O=C(c1cnoc1-c1ccccc1)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 7/20 0.49
HCRTR2 O43614 6/20 0.49
OPRK1 P41145 1/20 0.42
SSTR5 P35346 2/20 0.40
SPR P35270 1/20 0.39
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
CDK7 P50613 4/20 0.38
CCNH P51946 4/20 0.38
MNAT1 P51948 4/20 0.38
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
MGLL Q99685 1/20 0.38
S1PR3 Q99500 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL3657023 1.00 HCRTR1 (0.49) HCRTR1HCRTR2OPRK1SSTR5SPR
SCHEMBL1464089 0.87 HCRTR1 (0.47) HCRTR1HCRTR2MGLLS1PR3MAPT
SCHEMBL1463374 0.87 HCRTR1 (0.47) HCRTR1HCRTR2MGLLS1PR3MAPT
SCHEMBL1464086 0.87 HCRTR1 (0.47) HCRTR1HCRTR2MGLLS1PR3MAPT
SCHEMBL8225977 0.84 SSTR5 (0.46) HCRTR1HCRTR2OPRK1SSTR5SPR
SCHEMBL8227177 0.83 HCRTR2 (0.47) HCRTR1HCRTR2OPRK1SSTR5SPR
SCHEMBL4245047 0.83 HCRTR1 (0.47) HCRTR1HCRTR2OPRK1SSTR5MAPT
SCHEMBL4245051 0.83 HCRTR1 (0.47) HCRTR1HCRTR2OPRK1SSTR5MAPT
SCHEMBL4246791 0.83 MGLL (0.45) HCRTR1HCRTR2OPRK1SSTR5CCNA2
SCHEMBL3657997 0.83 MGLL (0.45) HCRTR1HCRTR2OPRK1SSTR5CCNA2

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 HCRTR1 1/4885HCRTR2 2/4885OPRK1 73/4885

“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.