SCHEMBL3086916

SCHEMBL3086916

CC(C)(C)OC(=O)NCCN[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.60
MMP12 P39900 1/20 0.60
CNR2 P34972 1/20 0.37
NPC1L1 Q9UHC9 5/20 0.37
NR1I2 O75469 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
EPHX1 P07099 1/20 0.34
SCN9A Q15858 1/20 0.34
PPARG P37231 2/20 0.33
DGAT2 Q96PD7 2/20 0.33
USP30 Q70CQ3 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RY14 Q15391 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
SCHEMBL2960110 0.91 PRKCA (0.63) PRKCAMMP12NPC1L1NR1I2OPRM1
SCHEMBL393735 0.88 PRKCA (0.75) PRKCAMMP12CNR2NPC1L1NR1I2
SCHEMBL14110610 0.87 PRKCA (0.65) PRKCAMMP12CNR2NPC1L1NR1I2
SCHEMBL2276676 0.86 PRKCA (0.63) PRKCAMMP12CNR2NPC1L1NR1I2
SCHEMBL3089205 0.85 PRKCA (0.66) PRKCAMMP12CNR2NR1I2SCN9A
SCHEMBL393732 0.85 PRKCA (0.55) PRKCAMMP12NPC1L1NR1I2OPRM1
SCHEMBL3092955 0.84 PRKCA (0.76) PRKCAMMP12NR1I2SCN9APPARG
SCHEMBL4206539 0.84 PRKCA (0.66) PRKCAMMP12NR1I2SCN9APPARG
SCHEMBL2957655 0.84 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3088711 0.84 PRKCA (0.70) PRKCAMMP12NR1I2SCN9ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed

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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885CNR2 215/4885

“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.