SCHEMBL792719

SCHEMBL792719

COc1ccc2c(c1)OCCn1c-2c(C2CCCCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.39
DRD5 P21918 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PRKCA P17252 1/20 0.37
MMP12 P39900 1/20 0.37
NTRK1 P04629 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 1/20 0.36
CNR2 P34972 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL14572897 0.88 NR1I2 (0.37) PRKCAMMP12MAPTKDM4EKMT2A
SCHEMBL13285999 0.85 PRKCA (0.43) PRKCAMMP12CNR2NR1I2
SCHEMBL14606930 0.84 PRKCA (0.37) PRKCAMMP12ROCK2ROCK1NR1I2
SCHEMBL792918 0.84 NR1I2 (0.36) PRKCAMMP12CNR2ROCK2ROCK1
SCHEMBL772000 0.83 PRKCA (0.51) PRKCAMMP12NR1I2
SCHEMBL792931 0.80 KCNH2 (0.48) PRKCAMMP12LMNAALDH1A1NR1I2
SCHEMBL792853 0.80 PRMT5 (0.38) PRKCAMMP12GAASMN1; SMN2
SCHEMBL792968 0.79 NR1I2 (0.47) PRKCAMMP12ALDH1A1NR1I2
SCHEMBL772290 0.79 PRKCA (0.49) PRKCAMMP12CNR2NR1I2
SCHEMBL792506 0.77 MAOB (0.47) PRKCAMMP12NPSR1SMN1; SMN2ALDH1A1

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 DRD1 4149/4885DRD5 3185/4885DRD2 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.