SCHEMBL1398770

SCHEMBL1398770

Cc1n[c]c(-c2ccccc2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
HPGD P15428 6/20 0.38
POLB P06746 2/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTGS1 P23219 4/20 0.37
PTGS2 P35354 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL10811934 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL504678 0.67 NPC1 (0.47) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL5214925 0.64 MAPK13 (0.58) RAB9ASMN1; SMN2HPGDPOLBPTGS1
SCHEMBL354121 0.62 BRD4 (0.42) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL558587 0.62 BRD4 (0.42) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL4511405 0.62 PTGS1 (0.46) RAB9ASMN1; SMN2HPGDPOLBBRD4
SCHEMBL637899 0.62 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2BRD4BRD2
SCHEMBL5539118 0.61 BRD4 (0.45) HPGDPOLBBRD4BRD2PTGS1
SCHEMBL2306468 0.61 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL1030878 0.61 NOTUM (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1

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 6 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
CN-101506199-A Azetidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2009-08-12 CN 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 NPC1 674/4885RAB9A 717/4885SMN1; SMN2 2584/4885

“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.