SCHEMBL923501

SCHEMBL923501

Cc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2CCC[C@@H]2N1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
MAPK1 P28482 1/20 0.42

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
SCHEMBL1571986 0.90 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL1571201 0.90 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
Hydrochloric Acid SCHEMBL1398882 0.80 MAPK1 (0.48) HCRTR1HCRTR2MAPK1
SCHEMBL496356 0.78 HCRTR1 (0.43) HCRTR1HCRTR2MAPK1
SCHEMBL2440747 0.78 HCRTR1 (0.43) HCRTR1HCRTR2MAPK1
SCHEMBL984607 0.78 HCRTR1 (0.46) HCRTR1HCRTR2MAPK1
SCHEMBL13538936 0.75 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL1338047 0.75 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL923725 0.73 HCRTR1 (0.50) HCRTR1HCRTR2MAPK1
SCHEMBL12330231 0.73 MAPK1 (0.43) HCRTR1HCRTR2MAPK1

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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 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-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MAPK1 2106/4885

“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.