SCHEMBL3589924

SCHEMBL3589924

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@H]1CCN(C)[C@@H]1c1cc(OCc2cccnc2)ccc1-3

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.41
NR1I2 O75469 5/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SCN5A Q14524 2/20 0.39
GPR132 Q9UNW8 1/20 0.38
MET P08581 2/20 0.37
NAMPT P43490 2/20 0.37
SCN9A Q15858 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 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
SCHEMBL11948200 0.93 PRKCA (0.41) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3593906 0.93 PRKCA (0.41) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL2275022 0.85 KCNH2 (0.51) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL2278637 0.85 KCNH2 (0.51) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3598609 0.83 KCNH2 (0.42) KCNH2NR1I2CYP3A4SCN5ASCN9A
SCHEMBL11948214 0.83 PRKCA (0.39) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3599435 0.83 PRKCA (0.39) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL11948219 0.81 NR1I2 (0.45) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL3593864 0.81 NR1I2 (0.45) KCNH2NR1I2CYP3A4CYP2C9CYP2C19
SCHEMBL11948198 0.79 KCNH2 (0.49) KCNH2NR1I2CYP3A4CYP2C9CYP2C19

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-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 KCNH2 1925/4885NR1I2 79/4885CYP3A4 130/4885

“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.