SCHEMBL5725403

SCHEMBL5725403

NC(=O)CN(c1ccccc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
OPRD1 P41143 10/20 0.43
CHRM2 P08172 4/20 0.41
CHRM3 P20309 4/20 0.41
OPRM1 P35372 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
OPRK1 P41145 3/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL2346348 0.86 ALDH1A1 (0.47) ALDH1A1CHRM2CHRM3OPRM1SIGMAR1
SCHEMBL7371438 0.82 MEN1 (0.51) ALDH1A1
SCHEMBL18429014 0.81 CHRM2 (0.45) OPRD1CHRM2CHRM3OPRM1SIGMAR1
SCHEMBL18428936 0.80 OPRM1 (0.44) OPRD1CHRM3OPRM1SIGMAR1OPRK1
SCHEMBL5969496 0.76 CCR5 (0.53) OPRD1CHRM2OPRM1SIGMAR1ADRA1A
SCHEMBL28692119 0.75 PGR (0.46) OPRD1CHRM2OPRM1ADRA1A
SCHEMBL2896994 0.74 L3MBTL3 (0.46) OPRD1CHRM2CHRM3OPRM1SIGMAR1
SCHEMBL5969506 0.74 OPRM1 (0.50) ALDH1A1OPRD1CHRM2CHRM3OPRM1
SCHEMBL5969537 0.74 CCR5 (0.49) OPRM1SIGMAR1
SCHEMBL5969523 0.73 MEN1 (0.49) CHRM2CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 ALDH1A1 2974/4885OPRD1 186/4885CHRM2 2925/4885

“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.