SCHEMBL924082

SCHEMBL924082

O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)c1nc(C2CC2)sc1-c1ccccc1)c1noc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.42
HCRTR2 O43614 12/20 0.42
HIF1A Q16665 3/20 0.38
CHRNA7 P36544 1/20 0.36

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
SCHEMBL925561 0.86 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3640535 0.84 HCRTR1 (0.51) HCRTR1HCRTR2HIF1A
SCHEMBL923764 0.83 HCRTR1 (0.49) HCRTR1HCRTR2HIF1A
SCHEMBL924556 0.83 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL924254 0.79 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL13254773 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3637031 0.79 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1571676 0.77 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1571743 0.76 HCRTR1 (0.57) HCRTR1HCRTR2HIF1A
SCHEMBL1571810 0.76 HCRTR1 (0.47) HCRTR1HCRTR2HIF1A

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
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US claimed
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 1/4885HIF1A 489/4885

“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.