SCHEMBL1398772

SCHEMBL1398772

CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cccc2occc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.51
HCRTR2 O43614 8/20 0.51
IL1B P01584 4/20 0.45
P2RX7 Q99572 3/20 0.45
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
OPRD1 P41143 1/20 0.40
KDM1A O60341 1/20 0.39
CACNA1H O95180 1/20 0.39
ACKR3 P25106 1/20 0.38

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
SCHEMBL6820366 0.93 HCRTR1 (0.59) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL1572370 0.82 HCRTR1 (0.42) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL1339577 0.81 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL2930345 0.81 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL2930343 0.81 HCRTR1 (0.49) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL1398678 0.81 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL983914 0.79 HCRTR1 (0.43) HCRTR1HCRTR2IL1BP2RX7KDM4E
SCHEMBL1398816 0.78 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1398628 0.78 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1398698 0.78 HCRTR1 (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994336-B2 Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-09 US disclosed
EP-2069332-B1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-02 EP disclosed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US disclosed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP disclosed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO 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-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885IL1B 663/4885

“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.