SCHEMBL4157782

SCHEMBL4157782

O=C(O)c1ccc2c([C@H]3CCCC[C@@H]3F)c3n(c2c1)CCN(CCN1CCCC1)Cc1ccccc1-3

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
MMP12 P39900 1/20 0.38
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.34
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HRH1 P35367 1/20 0.32
FABP4 P15090 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL4157786 1.00 PRKCA (0.38) PRKCAMMP12KDM4EL3MBTL1PTGER4
SCHEMBL4145802 0.94 PRKCA (0.38) PRKCAMMP12KDM4EPTGER4ALDH1A1
SCHEMBL4145806 0.94 PRKCA (0.38) PRKCAMMP12KDM4EPTGER4ALDH1A1
SCHEMBL4153108 0.90 CCR3 (0.34) PRKCAMMP12HTR2AHTR7SIGMAR1
SCHEMBL4153105 0.90 CCR3 (0.34) PRKCAMMP12HTR2AHTR7SIGMAR1
SCHEMBL4150441 0.90 CCR3 (0.34) PRKCAMMP12SIGMAR1HRH1
SCHEMBL4150447 0.90 CCR3 (0.34) PRKCAMMP12SIGMAR1HRH1
SCHEMBL4152317 0.89 KCNH2 (0.35) PRKCAMMP12HTR2AHTR7SIGMAR1
SCHEMBL4152321 0.89 KCNH2 (0.35) PRKCAMMP12HTR2AHTR7SIGMAR1
SCHEMBL4139304 0.88 PRKCA (0.40) PRKCAMMP12KDM4EL3MBTL1SCN9A

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 3563/4885KDM4E 2269/4885

“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.