SCHEMBL804007

SCHEMBL804007

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCc1ccccc1-3

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.39
MTNR1B P49286 16/20 0.39
SCN9A Q15858 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL803961 0.95 MTNR1A (0.40) MTNR1AMTNR1BSCN9APRKCAMMP12
SCHEMBL10283188 0.89 PRKCA (0.34) MTNR1AMTNR1BSCN9APRKCAMMP12
SCHEMBL803831 0.83 SCN9A (0.34) SCN9APRKCAMMP12
SCHEMBL803906 0.83 PRKCA (0.44) SCN9APRKCAMMP12
SCHEMBL10283723 0.83 PRKCA (0.34) SCN9APRKCAMMP12
SCHEMBL803864 0.81 LIPG (0.39) SCN9APRKCAMMP12
SCHEMBL804243 0.81 PRKCA (0.46) SCN9APRKCAMMP12
SCHEMBL10283240 0.81 PRKCA (0.35) SCN9APRKCAMMP12
SCHEMBL793019 0.81 MTNR1A (0.38) MTNR1AMTNR1BSCN9APRKCAMMP12
SCHEMBL803994 0.79 PRKCA (0.38) SCN9APRKCAMMP12

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MTNR1A 4311/4885MTNR1B 4142/4885SCN9A 3087/4885

“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.