SCHEMBL1591163

SCHEMBL1591163

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OC(C)C)c4ccccc4c3OCc3ccccc3)C2=O)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
EDNRA P25101 1/20 0.36
GLRA1 P23415 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGS1 P23219 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
CHRM1 P11229 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
HTR1A P08908 1/20 0.32
ADRA1A P35348 1/20 0.32
AKR1C1 Q04828 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
SCHEMBL1590264 0.95 PTGER4 (0.42) PTGER4CYP1A2CYP2D6GLRA1KDM4E
SCHEMBL1591043 0.92 PTGER4 (0.47) PTGER4CYP1A2CYP2D6GLRA1KDM4E
SCHEMBL1591089 0.90 PTGER4 (0.40) PTGER4CYP1A2CYP2D6GLRA1KDM4E
SCHEMBL1591540 0.90 PTGER4 (0.39) PTGER4CYP1A2CYP2D6EDNRAGLRA1
SCHEMBL1590405 0.89 PTGER4 (0.36) PTGER4CYP1A2CYP2D6PTGS1CHRM1
SCHEMBL1590313 0.89 PTGER4 (0.36) PTGER4CYP1A2CYP2D6PTGS1CHRM1
SCHEMBL1590411 0.86 PTGER4 (0.51) PTGER4CYP1A2CYP2D6EDNRAUSP2
SCHEMBL1590785 0.85 AKR1C3 (0.37) PTGER4CYP1A2CYP2D6PTGS1CHRM1
SCHEMBL1591410 0.84 PTGER4 (0.44) PTGER4CYP1A2CYP2D6PTGS1AKR1C3
SCHEMBL9947702 0.84 PTGER4 (0.54) PTGER4CYP1A2CYP2D6EDNRAGLRA1

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 106/4885CYP1A2 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.