SCHEMBL3085776

SCHEMBL3085776

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(C(=O)[C@H]1CCCN1C)Cc1cc(F)ccc1-3

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.42
SCN9A Q15858 7/20 0.40
KCNH2 Q12809 5/20 0.36
CYP3A4 P08684 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL3073408 0.84 NR1I2 (0.41) NR1I2SCN9AKCNH2
SCHEMBL3073381 0.84 NR1I2 (0.42) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL3084480 0.81 PRKCA (0.42) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL3088636 0.80 NR1I2 (0.38) NR1I2SCN9AKCNH2CYP3A4
SCHEMBL3088937 0.79 NR1I2 (0.41) NR1I2SCN9AKCNH2
SCHEMBL3092618 0.77 NR1I2 (0.41) NR1I2SCN9A
SCHEMBL4153375 0.76 NR1I2 (0.37) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL4153370 0.76 NR1I2 (0.37) NR1I2SCN9AKCNH2CYP3A4SCN5A
SCHEMBL3088322 0.75 NR1I2 (0.41) NR1I2SCN9A
SCHEMBL3097509 0.75 NR1I2 (0.42) NR1I2SCN9A

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US 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

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 144/4885SCN9A 3788/4885KCNH2 1341/4885

“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.