SCHEMBL3593864

SCHEMBL3593864

COc1ccc2c(c1)[C@@H]1[C@H](CCN1Cc1cccnc1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
KCNH2 Q12809 7/20 0.41
SCN5A Q14524 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
SLC18A3 Q16572 2/20 0.37

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
SCHEMBL11948219 1.00 NR1I2 (0.45) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3593906 0.86 PRKCA (0.41) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL11948200 0.86 PRKCA (0.41) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3593846 0.84 KCNH2 (0.45) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3587774 0.83 KCNH2 (0.49) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL11948198 0.83 KCNH2 (0.49) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3588977 0.83 NR1I2 (0.47) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3586223 0.83 PRKCA (0.51) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3591032 0.83 PRKCA (0.51) NR1I2CYP3A4CYP2C9CYP2C19PRKCA
SCHEMBL3981260 0.83 PRKCA (0.51) NR1I2CYP3A4CYP2C9CYP2C19PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US claimed
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 NR1I2 79/4885CYP3A4 130/4885CYP2C9 366/4885

“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.