SCHEMBL3060001

SCHEMBL3060001

Cc1ccc(-c2nc(C)sc2C(=O)N2CCC2CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.53
HCRTR2 O43614 13/20 0.53
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3067509 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4785666 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3312180 0.84 HCRTR1 (0.45) HCRTR1HCRTR2ALDH1A1
SCHEMBL3059998 0.83 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1
SCHEMBL2056960 0.82 HCRTR1 (0.47) HCRTR1HCRTR2ALDH1A1
SCHEMBL1398848 0.82 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL4785253 0.77 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2635804 0.76 HCRTR1 (0.48) HCRTR1HCRTR2ALDH1A1
SCHEMBL1398768 0.75 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3312174 0.74 HCRTR2 (0.46) HCRTR1HCRTR2ALDH1A1

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 1 patent. 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

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.