SCHEMBL3074886

SCHEMBL3074886

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCC(=O)N(CCN(C)C)Cc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
NR1I2 O75469 4/20 0.42
SCN9A Q15858 2/20 0.40
RXRA P19793 1/20 0.39
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KCNH2 Q12809 3/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN5A Q14524 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
SCHEMBL3080352 0.93 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ARXRA
SCHEMBL895292 0.92 PRKCA (0.55) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3087256 0.88 PRKCA (0.48) PRKCAMMP12NR1I2SCN9ARXRA
SCHEMBL3576917 0.86 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ARXRA
SCHEMBL3584897 0.85 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ARXRA
SCHEMBL895175 0.84 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4200779 0.84 PRKCA (0.49) PRKCAMMP12NR1I2SCN9ARXRA
SCHEMBL772587 0.84 SCN9A (0.47) PRKCAMMP12NR1I2SCN9AMTNR1A
SCHEMBL3093091 0.83 KCNH2 (0.44) PRKCAMMP12NR1I2SCN9AKCNH2
SCHEMBL3092990 0.83 PRKCA (0.41) PRKCAMMP12NR1I2SCN9AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885

“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.