SCHEMBL4156040

SCHEMBL4156040

CCOc1ccc2c(c1)CN(CCN(C)C)CCn1c-2c([C@H]2CCCC[C@@H]2F)c2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
MTNR1A P48039 6/20 0.35
MTNR1B P49286 6/20 0.35
SLC6A5 Q9Y345 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KCNH2 Q12809 2/20 0.31
CYP3A4 P08684 1/20 0.31
SCN5A Q14524 1/20 0.31
MTHFD2 P13995 1/20 0.31
NR1I2 O75469 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4156042 1.00 PRKCA (0.38) PRKCAMMP12MTNR1AMTNR1BSLC6A5
SCHEMBL4146359 0.94 PRKCA (0.37) PRKCAMMP12MTNR1AMTNR1BSLC6A5
SCHEMBL4146357 0.94 PRKCA (0.37) PRKCAMMP12MTNR1AMTNR1BSLC6A5
SCHEMBL4157359 0.94 MTNR1A (0.35) PRKCAMMP12MTNR1AMTNR1BALDH1A1
SCHEMBL4157361 0.94 MTNR1A (0.35) PRKCAMMP12MTNR1AMTNR1BALDH1A1
SCHEMBL4155300 0.93 PRKCA (0.37) PRKCAMMP12SLC6A5PRMT5WDR77
SCHEMBL4155304 0.93 PRKCA (0.37) PRKCAMMP12SLC6A5PRMT5WDR77
SCHEMBL4152682 0.93 PRKCA (0.39) PRKCAMMP12MTNR1AMTNR1BKCNH2
SCHEMBL4149639 0.93 PRKCA (0.39) PRKCAMMP12MTNR1AMTNR1BKCNH2
SCHEMBL4157356 0.92 ALDH1A1 (0.38) MTNR1AMTNR1BALDH1A1TP53PRMT5

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 PRKCA 4320/4885MMP12 3563/4885MTNR1A 45/4885

“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.