SCHEMBL6465387

SCHEMBL6465387

CN(C(=O)c1cccc(I)c1)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 5/20 0.47
OPRD1 P41143 1/20 0.43
SCN2A Q99250 1/20 0.43
PDK1 Q15118 2/20 0.43
PDK2 Q15119 2/20 0.43
PDK3 Q15120 2/20 0.43
PDK4 Q16654 2/20 0.43
HSD17B1 P14061 4/20 0.43
GRM1 Q13255 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PIK3CA P42336 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27447806 0.84 KMT2A (0.54) HSD17B2HSD17B1GPBAR1CES2CES1
SCHEMBL7455084 0.82 HSD17B2 (0.47) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL6310719 0.81 ATM (0.51) HSD17B2PDK1PDK2PDK3PDK4
SCHEMBL4576119 0.80 UNG (0.47) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL4250786 0.79 HTR3E (0.49) HSD17B2HSD17B1GRM1GPBAR1CES2
SCHEMBL2086375 0.79 ERN1 (0.46) ALDH1A1HPGD
SCHEMBL21620316 0.78 ALDH1A1 (0.47) HSD17B2GPBAR1KDM1AMAOAMAOB
SCHEMBL27439157 0.77 HSD17B2 (0.51) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL255000 0.76 CES2 (0.61) GRM1CES2CES1OPRM1OPRL1
SCHEMBL29482201 0.76 CES2 (0.61) GRM1CES2CES1OPRM1OPRL1

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 7 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
CN-100508980-C Compositions for combating lower urinary tract dysfunctions with delta opioid receptor agonists MOUNT COOK BIOSCIENCES INC (US) 2009-07-08 CN disclosed
CN-1652787-A Compositions and methods for combating lower urinary tract dysfunctions with delta opioid receptor agonists ARDENT PHARMACEUTICALS INC (US) 2005-08-10 CN 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 HSD17B2 413/4885OPRD1 1/4885SCN2A 2146/4885

“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.