SCHEMBL3059998

SCHEMBL3059998

Cc1ccc(-c2nc(C)sc2C(=O)N2CCC2C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.54
HCRTR2 O43614 11/20 0.54
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL3067507 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3312174 0.84 HCRTR2 (0.46) HCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL3060001 0.83 HCRTR1 (0.53) HCRTR1HCRTR2ALDH1A1
SCHEMBL2635804 0.82 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL1398845 0.81 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2056960 0.76 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL3312180 0.74 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL2056852 0.73 HCRTR1 (0.41) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL1398966 0.73 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1398887 0.73 HCRTR1 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885ALDH1A1 1961/4885

“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.