SCHEMBL792242

SCHEMBL792242

Cc1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN1CCCCC1)c1ccc(F)cc1-3

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
ADRA1D P25100 2/20 0.35
POLB P06746 1/20 0.34
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CCR3 P51677 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL803814 0.86 PRKCA (0.42) ACHECCR3NR1I2
SCHEMBL804148 0.85 ACHE (0.34) ACHEADRA1DDRD2DRD3CCR3
SCHEMBL14572865 0.85 USP14 (0.36) ACHECCR3NR1I2
SCHEMBL14606912 0.85 NR1I2 (0.40) NR1I2
SCHEMBL792449 0.84 ACHE (0.35) ACHEADRA1DDRD2DRD3NR1I2
SCHEMBL12427802 0.84 PRKCA (0.43) DRD2DRD3NR1I2
SCHEMBL792442 0.83 OPRM1 (0.34) DRD2DRD3
SCHEMBL792562 0.81 PRKCA (0.33) DRD2DRD3NR1I2
SCHEMBL792253 0.81 MAPT (0.34) NR1I2
SCHEMBL792435 0.79 LMNA (0.35)

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 ACHE 3981/4885ADRA1D 4779/4885POLB 77/4885

“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.