SCHEMBL792730

SCHEMBL792730

COCC[C@@H]1CCCN(CCN2CCn3c(c(C4CCCCC4)c4ccc(OC=O)cc43)-c3ccc(C)cc32)C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
NR1I2 O75469 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL792312 0.91 DRD2 (0.31) KCNH2
SCHEMBL12428079 0.87 PRKCA (0.40) KCNH2NR1I2
SCHEMBL803712 0.87 PRKCA (0.40) KCNH2NR1I2
SCHEMBL10283283 0.87 PRKCA (0.40) KCNH2NR1I2
SCHEMBL14606871 0.87 SCN9A (0.36) KCNH2NR1I2
SCHEMBL803984 0.85
SCHEMBL792478 0.84 DRD2 (0.32) ACHEMAOB
SCHEMBL792664 0.84 CNR2 (0.34) NR1I2
SCHEMBL10283508 0.83 PRKCA (0.40) KCNH2NR1I2
SCHEMBL10283285 0.82 PRKCA (0.40) KCNH2NR1I2

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-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

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 KCNH2 3813/4885NR1I2 1189/4885ACHE 3981/4885

“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.