SCHEMBL773492

SCHEMBL773492

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c-3cccc1N(CCc1ccccc1)CCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
NR1I2 O75469 2/20 0.37
SCN9A Q15858 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
OPRM1 P35372 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CASR P41180 1/20 0.32
FABP4 P15090 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3791020 0.99 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP2C9
SCHEMBL771459 0.95 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP2C9
Hydrochloric Acid SCHEMBL771881 0.94 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACYP2C9
Hydrochloric Acid SCHEMBL773592 0.94 PRKCA (0.50) PRKCAMMP12NR1I2SCN9ACYP2C9
SCHEMBL10283289 0.93 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACYP2C9
Hydrochloric Acid SCHEMBL772388 0.93 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP2C9
SCHEMBL12429014 0.92 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP2C9
Hydrochloric Acid SCHEMBL771911 0.91 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ACYP2C9
SCHEMBL803733 0.91 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACYP2C9
SCHEMBL10283505 0.91 PRKCA (0.46) PRKCAMMP12NR1I2SCN9ACYP2C9

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 6 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-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-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PRKCA 2404/4885MMP12 1013/4885NR1I2 1189/4885

“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.