SCHEMBL4152682

SCHEMBL4152682

COc1ccc2c(c1)CN(CCN(C)C)CCn1c-2c([C@@H]2CCCC[C@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
MMP12 P39900 1/20 0.39
NR1I2 O75469 5/20 0.36
KCNH2 Q12809 7/20 0.35
CYP3A4 P08684 3/20 0.35
SCN5A Q14524 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
GSK3B P49841 1/20 0.33

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
SCHEMBL4149639 1.00 PRKCA (0.39) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4145150 0.93 KCNH2 (0.35) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4145154 0.93 KCNH2 (0.35) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4156040 0.93 PRKCA (0.38) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4156042 0.93 PRKCA (0.38) PRKCAMMP12NR1I2KCNH2CYP3A4
SCHEMBL4153074 0.92 ESR1 (0.35) NR1I2KCNH2CYP3A4SCN5AESR1
SCHEMBL4153077 0.92 ESR1 (0.35) NR1I2KCNH2CYP3A4SCN5AESR1
SCHEMBL4146359 0.92 PRKCA (0.37) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL4146357 0.92 PRKCA (0.37) PRKCAMMP12KCNH2CYP3A4SCN5A
SCHEMBL4155304 0.92 PRKCA (0.37) PRKCAMMP12

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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 US claimed
US-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-05-28 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-20090136449-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PRKCA 4320/4885MMP12 3563/4885NR1I2 268/4885

“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.