SCHEMBL4145154

SCHEMBL4145154

CCN(CC)CCN1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2ccc(OC)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.35
CYP3A4 P08684 3/20 0.35
SCN5A Q14524 2/20 0.35
NR1I2 O75469 4/20 0.34
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
ESR1 P03372 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 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
SCHEMBL4145150 1.00 KCNH2 (0.35) KCNH2CYP3A4SCN5ANR1I2PRKCA
SCHEMBL4157359 0.94 MTNR1A (0.35) PRKCAMMP12MTNR1AMTNR1B
SCHEMBL4157361 0.94 MTNR1A (0.35) PRKCAMMP12MTNR1AMTNR1B
SCHEMBL4152682 0.93 PRKCA (0.39) KCNH2CYP3A4SCN5ANR1I2PRKCA
SCHEMBL4149639 0.93 PRKCA (0.39) KCNH2CYP3A4SCN5ANR1I2PRKCA
SCHEMBL4162139 0.91 PRKCA (0.35) KCNH2NR1I2PRKCAMMP12
SCHEMBL4162144 0.91 PRKCA (0.35) KCNH2NR1I2PRKCAMMP12
SCHEMBL4149821 0.91 GHSR (0.38) PRKCAMMP12
SCHEMBL4149818 0.91 GHSR (0.38) PRKCAMMP12
SCHEMBL4153077 0.90 ESR1 (0.35) KCNH2CYP3A4SCN5ANR1I2ESR1

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 1 patent. 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

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 KCNH2 1467/4885CYP3A4 68/4885SCN5A 3016/4885

“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.