SCHEMBL4149435

SCHEMBL4149435

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.39
KCNH2 Q12809 7/20 0.37
CYP3A4 P08684 3/20 0.37
SCN5A Q14524 2/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKCA P17252 1/20 0.36
MMP12 P39900 1/20 0.36
RYR2 Q92736 1/20 0.34
TSHR P16473 2/20 0.34
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL4149438 1.00 NR1I2 (0.39) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4161529 0.93 CPT2 (0.35) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL4161530 0.93 CPT2 (0.35) NR1I2KCNH2CYP3A4SCN5APRKCA
SCHEMBL4144927 0.90 PRKCA (0.37) NR1I2PRKCAMMP12ESR1SMN1; SMN2
SCHEMBL4144926 0.90 PRKCA (0.37) NR1I2PRKCAMMP12ESR1SMN1; SMN2
SCHEMBL4143720 0.89 PRKCA (0.42) NR1I2PRKCAMMP12POLBMTNR1A
SCHEMBL4143716 0.89 PRKCA (0.42) NR1I2PRKCAMMP12POLBMTNR1A
SCHEMBL4152557 0.88 EGFR (0.33) NR1I2PRKCAMMP12
SCHEMBL4152562 0.88 EGFR (0.33) NR1I2PRKCAMMP12
SCHEMBL4151304 0.88 PRKCA (0.35) NR1I2CYP3A4PRKCAMMP12ESR1

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 NR1I2 268/4885KCNH2 1467/4885CYP3A4 68/4885

“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.