SCHEMBL10078896

SCHEMBL10078896

CC(C)Oc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC=O)cc1F)C2=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
EDNRA P25101 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
S1PR3 Q99500 2/20 0.32
GLRA1 P23415 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GRM5 P41594 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
SCHEMBL10078417 0.92 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2USP2
SCHEMBL10078912 0.89 PTGER4 (0.50) PTGER4CYP1A2CYP2D6SMN1; SMN2USP2
SCHEMBL10079622 0.88 PTGER4 (0.37) PTGER4CYP1A2CYP2D6
SCHEMBL9947668 0.88 PTGER4 (0.54) PTGER4CYP1A2CYP2D6EDNRA
SCHEMBL10079536 0.88 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2USP2
SCHEMBL10078415 0.84 PTGER4 (0.50) PTGER4CYP1A2CYP2D6EDNRAUSP2
SCHEMBL10058519 0.84 PTGER4 (0.48) PTGER4CYP1A2CYP2D6EDNRAALDH1A1
SCHEMBL10078416 0.83 PTGER4 (0.40) PTGER4CYP1A2CYP2D6EDNRASMN1; SMN2
SCHEMBL10078418 0.83 PTGER4 (0.37) PTGER4CYP1A2CYP2D6
SCHEMBL10078914 0.83 PTGER4 (0.47) PTGER4CYP1A2CYP2D6

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-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885

“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.