SCHEMBL6476188

SCHEMBL6476188

CN(C)S(=O)(=O)c1ccc([C@H](c2cccc(O)c2)N2CCN(C(C)(C)c3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPY2R P49146 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ RARG P13631 1/20 0.37
▸ RXRA P19793 1/20 0.37

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
SCHEMBL6476373 0.77 HTT (0.42) OPRD1HTTNPY2RMEN1KMT2A
SCHEMBL15080714 0.71 CYP1A2 (0.53) OPRD1
SCHEMBL4669298 0.67 OPRM1 (0.58) OPRD1MEN1KMT2AALDH1A1TDP1
SCHEMBL2752754 0.66 OPRD1 (0.55) OPRD1HTTMEN1KMT2AALDH1A1
SCHEMBL6472690 0.66 OPRD1 (0.41) OPRD1HTTNPY2RALDH1A1KDM4E
SCHEMBL6932886 0.66 CYP1A2 (0.47) OPRD1
SCHEMBL34672 0.66 ALDH1A1 (0.66) HTTMEN1KMT2AALDH1A1GAA
SCHEMBL6472695 0.65 CYP1A2 (0.42) OPRD1
SCHEMBL9881223 0.64 OPRD1 (1.00) OPRD1MEN1KMT2AGAASMN1; SMN2
SCHEMBL2751728 0.63 OPRD1 (0.72) OPRD1MEN1KMT2AGAASMN1; SMN2

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 1/4885HTT 2595/4885NPY2R 368/4885

“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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