SCHEMBL3593870

SCHEMBL3593870

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CO)n(Cc3nccn3Cc3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.42
HSP90AA1 P07900 2/20 0.39
HSP90B1 P14625 2/20 0.39
HSP90AB1 P08238 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NR1I2 O75469 1/20 0.37
CNR1 P21554 1/20 0.37
DPP4 P27487 1/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 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
SCHEMBL3586254 0.82 PRKCA (0.37) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3593873 0.80 CNR2 (0.37) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3584923 0.79 PTGER4 (0.40) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3586034 0.79 PRKCA (0.38) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL14253889 0.75 HDAC1 (0.39) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL772324 0.75 CNR2 (0.42) CNR2CYP3A4CYP2C9CYP2C19DPP4
SCHEMBL4826344 0.73 SCN9A (0.41) CNR2CYP3A4CYP2C9CYP2C19KDM4E
Tetrabuthylammonium SCHEMBL4563404 0.72 PTGER4 (0.36) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL3586074 0.72 KCNH2 (0.40) CNR2CYP3A4CYP2C9CYP2C19NR1I2
SCHEMBL2279301 0.72 KCNH2 (0.40) CNR2CYP3A4CYP2C9CYP2C19NR1I2

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-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
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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 (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 CNR2 127/4885HSP90AA1 3745/4885HSP90B1 3833/4885

“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.