SCHEMBL3085391

SCHEMBL3085391

COc1ccc2c(c1)CNCCn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.46
KCNH2 Q12809 7/20 0.45
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
CYP3A4 P08684 3/20 0.42
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38

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
SCHEMBL3075589 0.86 PRKCA (0.42) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL878419 0.85 PRKCA (0.49) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL895603 0.85 KCNH2 (0.47) NR1I2KCNH2PRKCAMMP12CYP3A4
Trifluoroacetic Acid SCHEMBL3087552 0.83 PRKCA (0.41) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL3088937 0.82 NR1I2 (0.41) NR1I2KCNH2PRKCAMMP12SCN9A
SCHEMBL3943346 0.81 PRKCA (0.46) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL10283615 0.81 NR1I2 (0.43) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL12429418 0.81 KCNH2 (0.44) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL772000 0.81 PRKCA (0.51) NR1I2KCNH2PRKCAMMP12CYP3A4
SCHEMBL12429635 0.81 NR1I2 (0.43) NR1I2KCNH2PRKCAMMP12CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP claimed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US claimed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO claimed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 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 (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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 NR1I2 144/4885KCNH2 1341/4885PRKCA 3874/4885

“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.