SCHEMBL4152562

SCHEMBL4152562

CN(C)CC(=O)N1CCn2c(c([C@@H]3CCCC[C@H]3F)c3ccc(C(=O)O)cc32)-c2ccc(OCc3ccncc3)cc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
NPC1 O15118 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
RAB9A P51151 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
CYP8B1 Q9UNU6 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
NR1I2 O75469 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL4152557 1.00 EGFR (0.33) EGFRPRKCAMMP12NPC1RXRA
SCHEMBL4153349 0.92 GPR132 (0.35) PRKCAMMP12NPC1RAB9ACYP8B1
SCHEMBL4153345 0.92 GPR132 (0.35) PRKCAMMP12NPC1RAB9ACYP8B1
SCHEMBL4151297 0.90 PRKCA (0.35) PRKCAMMP12GPR84NR1I2LIPG
SCHEMBL4151304 0.90 PRKCA (0.35) PRKCAMMP12GPR84NR1I2LIPG
SCHEMBL4161530 0.90 CPT2 (0.35) PRKCAMMP12NR1I2LIPG
SCHEMBL4161529 0.90 CPT2 (0.35) PRKCAMMP12NR1I2LIPG
SCHEMBL4157400 0.89 NPC1 (0.36) EGFRNPC1RXRARXRBRXRG
SCHEMBL4157401 0.89 NPC1 (0.36) EGFRNPC1RXRARXRBRXRG
SCHEMBL4149438 0.88 NR1I2 (0.39) PRKCAMMP12NR1I2

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 EGFR 1922/4885PRKCA 4320/4885MMP12 3563/4885

“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.