SCHEMBL8225977

SCHEMBL8225977

O=C(c1ccccc1Cl)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.46
OPRK1 P41145 1/20 0.45
MGLL Q99685 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR2 O43614 5/20 0.44
HCRTR1 O43613 4/20 0.44
SPR P35270 1/20 0.43
RAB9A P51151 1/20 0.43
PAK1 Q13153 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM5A P29375 1/20 0.42
TP53 P04637 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL8223859 0.92 SSTR5 (0.47) SSTR5OPRK1HCRTR2HCRTR1SPR
SCHEMBL3657997 0.91 MGLL (0.45) SSTR5OPRK1MGLLHCRTR2HCRTR1
SCHEMBL4246791 0.91 MGLL (0.45) SSTR5OPRK1MGLLHCRTR2HCRTR1
SCHEMBL4243152 0.89 SSTR5 (0.47) SSTR5OPRK1HCRTR2HCRTR1SPR
SCHEMBL4243155 0.89 SSTR5 (0.47) SSTR5OPRK1HCRTR2HCRTR1SPR
SCHEMBL4246987 0.89 SSTR5 (0.47) SSTR5OPRK1HCRTR2HCRTR1RAB9A
SCHEMBL8224002 0.89 HCRTR2 (0.44) SSTR5OPRK1HCRTR2HCRTR1SPR
SCHEMBL4246984 0.89 SSTR5 (0.47) SSTR5OPRK1HCRTR2HCRTR1RAB9A
SCHEMBL4238127 0.88 MGLL (0.48) SSTR5OPRK1MGLLHCRTR2HCRTR1
SCHEMBL4249005 0.88 CCNK (0.47) SSTR5OPRK1HCRTR2HCRTR1

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 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

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 248/4885OPRK1 73/4885MGLL 1527/4885

“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.