SCHEMBL984607

SCHEMBL984607

Cc1nc2sccn2c1C(=O)NC[C@H]1N[C@@H]2CC[C@H]1C2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.46
HCRTR2 O43614 3/20 0.46
MAPK1 P28482 2/20 0.44
ALOX15 P16050 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
SCHEMBL13538936 0.80 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL1338047 0.80 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1
SCHEMBL1571201 0.79 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1ALOX15
SCHEMBL1571986 0.79 HCRTR1 (0.47) HCRTR1HCRTR2MAPK1ALOX15
SCHEMBL923501 0.78 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL496356 0.78 HCRTR1 (0.43) HCRTR1HCRTR2MAPK1
Hydrochloric Acid SCHEMBL1398882 0.78 MAPK1 (0.48) HCRTR1HCRTR2MAPK1ALOX15
SCHEMBL496272 0.77 HCRTR1 (0.45) HCRTR1HCRTR2MAPK1
SCHEMBL983349 0.72 HCRTR1 (0.42) HCRTR1HCRTR2MAPK1
SCHEMBL12330231 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 HCRTR1 2/4885HCRTR2 1/4885MAPK1 1879/4885

“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.