SCHEMBL804300

SCHEMBL804300

CN(C)CCN1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.59
MMP12 P39900 1/20 0.59
NR1I2 O75469 3/20 0.43
SCN9A Q15858 2/20 0.39
CCKBR P32239 4/20 0.37
CSNK2A1 P68400 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
KMO O15229 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTK2B Q14289 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL3571241 0.96 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427909 0.95 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427728 0.95 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12428102 0.92 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427928 0.92 PRKCA (0.59) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427843 0.92 PRKCA (0.53) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427884 0.92 PRKCA (0.53) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL803976 0.91 PRKCA (0.52) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL12427797 0.91 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACCKBR
SCHEMBL4200779 0.91 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ACYP3A4

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-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-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-06-11 US disclosed
EP-1926733-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-06-04 EP disclosed
WO-2007029029-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, ZC3HAV1, ZC3HAV1L PRKCA 4063/4885MMP12 3442/4885NR1I2 142/4885
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.