SCHEMBL804148

SCHEMBL804148

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HTR1A P08908 6/20 0.34
DRD2 P14416 6/20 0.34
HTR2A P28223 6/20 0.34
HRH3 Q9Y5N1 6/20 0.34
ADRA1D P25100 2/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
HTR6 P50406 1/20 0.32
KCNH2 Q12809 1/20 0.32
ESR1 P03372 1/20 0.32
NR1I2 O75469 2/20 0.31
SCN9A Q15858 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL792242 0.85 ACHE (0.38) ACHEDRD2ADRA1DDRD3NR1I2
SCHEMBL804226 0.83 PRKCA (0.31)
SCHEMBL14606912 0.83 NR1I2 (0.40) KCNH2ESR1NR1I2SCN9A
SCHEMBL12510266 0.81 SCN9A (0.32) HRH3HRH1KCNH2ESR1SCN9A
SCHEMBL14572865 0.81 USP14 (0.36) ACHEHRH3ESR1NR1I2SCN9A
SCHEMBL792449 0.81 ACHE (0.35) ACHEHTR1ADRD2HTR2AHRH3
SCHEMBL803814 0.81 PRKCA (0.42) ACHEHTR2ANR1I2SCN9ACCR3
SCHEMBL803861 0.80 SCN9A (0.30) SCN9A
SCHEMBL10283718 0.76 CYP2D6 (0.34) HRH1NR1I2SCN9A
SCHEMBL803984 0.76

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 ACHE 3981/4885HTR1A 4866/4885DRD2 4479/4885

“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.