SCHEMBL1590316

SCHEMBL1590316

CCC(C(=O)O)c1ccc(N2Cc3c(c(OC)c4ccccc4c3OC(F)F)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 19/20 0.57
HTR1A P08908 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL1590292 0.96 PTGER4 (0.57) PTGER4HTR1AADRA1A
SCHEMBL3563601 0.87 PTGER4 (0.70) PTGER4HTR1AADRA1A
SCHEMBL1589886 0.84 PTGER4 (0.75) PTGER4
SCHEMBL1590136 0.84 PTGER4 (0.55) PTGER4HTR1AADRA1A
SCHEMBL3561366 0.83 PTGER4 (0.73) PTGER4HTR1AADRA1A
SCHEMBL3569685 0.82 PTGER4 (0.71) PTGER4HTR1AADRA1A
SCHEMBL3566808 0.82 PTGER4 (0.62) PTGER4HTR1AADRA1A
SCHEMBL3564981 0.81 PTGER4 (0.73) PTGER4HTR1AADRA1A
SCHEMBL3567447 0.81 PTGER4 (0.71) PTGER4HTR1AADRA1A
SCHEMBL10058572 0.81 PTGER4 (0.59) PTGER4

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-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 106/4885HTR1A 49/4885ADRA1A 54/4885

“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.