SCHEMBL3593906

SCHEMBL3593906

CN1CC[C@H]2Cn3c(c(C4CCCCC4)c4ccc(C(=O)O)cc43)-c3ccc(OCc4cccnc4)cc3[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
MMP12 P39900 1/20 0.41
NR1I2 O75469 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR132 Q9UNW8 3/20 0.39
MET P08581 2/20 0.38
KCNH2 Q12809 6/20 0.38
SCN5A Q14524 2/20 0.37
NAMPT P43490 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 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
SCHEMBL11948200 1.00 PRKCA (0.41) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3589924 0.93 KCNH2 (0.41) NR1I2CYP3A4CYP2C9CYP2C19GPR132
SCHEMBL3599435 0.89 PRKCA (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL11948214 0.89 PRKCA (0.39) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL11948219 0.86 NR1I2 (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3593864 0.86 NR1I2 (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL11948198 0.84 KCNH2 (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3587774 0.84 KCNH2 (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL11948199 0.82 PRKCA (0.46) PRKCAMMP12NR1I2CYP3A4KCNH2
SCHEMBL3590641 0.82 PRKCA (0.46) PRKCAMMP12NR1I2CYP3A4KCNH2

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 PRKCA 2745/4885MMP12 3050/4885NR1I2 79/4885

“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.