SCHEMBL6472690

SCHEMBL6472690

CN(C)S(=O)(=O)c1ccc([C@H](c2cccc(O)c2)N2CCNCC2(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.41
▸ NPY2R P49146 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ OPRM1 P35372 3/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HTR6 P50406 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
SCHEMBL31055379 0.72 NPSR1 (0.54) OPRD1OPRM1SLC6A3HTR2CHTR2B
SCHEMBL6472695 0.71 CYP1A2 (0.42) OPRD1OPRM1HPGD
SCHEMBL6932886 0.69 CYP1A2 (0.47) OPRD1OPRM1HPGD
SCHEMBL6476373 0.69 HTT (0.42) OPRD1NPY2RHTTALDH1A1KDM4E
SCHEMBL6476188 0.66 OPRD1 (0.46) OPRD1NPY2RHTTALDH1A1KDM4E
SCHEMBL6934885 0.65 CYP1A2 (0.51) OPRD1OPRM1HPGD
SCHEMBL6934879 0.65 CYP1A2 (0.51) OPRD1OPRM1HPGD
SCHEMBL6374535 0.65 OPRD1 (0.68) OPRD1OPRM1HPGD
SCHEMBL4576016 0.65 OPRD1 (0.68) OPRD1OPRM1HPGD
SCHEMBL7994344 0.65 OPRD1 (0.68) OPRD1OPRM1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501513-B1 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS VERSI GROUP LLC (US) 2014-04-16 — — EP disclosed
US-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 — — US disclosed
EP-1501513-A2 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS Ardent Pharmaceuticals, Inc. (US) 2005-02-02 — — EP disclosed
US-20040002503-A1 Compositions and methods for combating lower urinary tract dysfunctions with delta opioid receptor agonists VERSI GROUP, LLC 2004-01-01 — — US disclosed
WO-2003094853-A2 COMPOSITIONS AND METHODS FOR COMBATING LOWER URINARY TRACT DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONISTS ARDENT PHARMACEUTICALS, INC. (US) 2003-11-20 — — WO 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-20040002503-A1 Compositions and methods for combating lower urinary tract dysfunctions with delta opioid receptor agonists OPRD1, OPRK1, OPRM1 OPRD1 1/4885NPY2R 368/4885HTT 2595/4885

“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.

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