SCHEMBL6476373

SCHEMBL6476373

CN(C)S(=O)(=O)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccc(C(=O)O)cc3)C(C)(C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ OPRD1 P41143 2/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TAS2R14 Q9NYV8 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35

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
SCHEMBL6476188 0.77 OPRD1 (0.46) HTTOPRD1NPY2RALDH1A1KDM4E
SCHEMBL15080714 0.76 CYP1A2 (0.53) OPRD1CYP1A2CYP2C9
SCHEMBL6472690 0.69 OPRD1 (0.41) HTTOPRD1NPY2RALDH1A1KDM4E
SCHEMBL15080472 0.68 — —
SCHEMBL2751728 0.66 OPRD1 (0.72) OPRD1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL15764535 0.65 OPRD1 (0.67) OPRD1KCNH2
SCHEMBL231375 0.65 OPRD1 (0.67) OPRD1KCNH2
SCHEMBL6472695 0.64 CYP1A2 (0.42) OPRD1CYP1A2CYP2C9
SCHEMBL6932886 0.63 CYP1A2 (0.47) OPRD1CYP1A2CYP2C9
SCHEMBL34672 0.63 ALDH1A1 (0.66) HTTALDH1A1MEN1KMT2AGAA

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 HTT 2595/4885OPRD1 1/4885NPY2R 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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