SCHEMBL792312

SCHEMBL792312

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
GHSR Q92847 2/20 0.30
KCNH2 Q12809 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
SCHEMBL792478 0.93 DRD2 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14606871 0.92 SCN9A (0.36) KCNH2
SCHEMBL803712 0.92 PRKCA (0.40) KCNH2
SCHEMBL12428079 0.92 PRKCA (0.40) KCNH2
SCHEMBL803984 0.92
SCHEMBL10283283 0.92 PRKCA (0.40) KCNH2
SCHEMBL792730 0.91 KCNH2 (0.31) KCNH2
SCHEMBL10283508 0.88 PRKCA (0.40) KCNH2
SCHEMBL792479 0.86 MEN1 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10283613 0.86 PRKCA (0.40) GHSRKCNH2

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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 DRD2 4479/4885DRD1 4149/4885DRD4 3838/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD2 4479/4885DRD1 4149/4885DRD4 3838/4885

“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.