SCHEMBL4576119

SCHEMBL4576119

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.47
HSD17B2 P37059 5/20 0.45
ERN1 O75460 2/20 0.42
OPRD1 P41143 1/20 0.42
PDK1 Q15118 2/20 0.41
PDK2 Q15119 2/20 0.41
PDK3 Q15120 2/20 0.41
PDK4 Q16654 2/20 0.41
GRM1 Q13255 1/20 0.41
HSD17B1 P14061 4/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PIK3CA P42336 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 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
SCHEMBL27447806 0.82 KMT2A (0.54) HSD17B2HSD17B1GPBAR1KDM1AMAOA
SCHEMBL29968407 0.80 UNG (0.61) UNGERN1
SCHEMBL2265054 0.80 UNG (0.61) UNGERN1
SCHEMBL27439157 0.80 HSD17B2 (0.51) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL7455084 0.80 HSD17B2 (0.47) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL6465387 0.80 HSD17B2 (0.47) HSD17B2OPRD1PDK1PDK2PDK3
SCHEMBL6310719 0.79 ATM (0.51) HSD17B2PDK1PDK2PDK3PDK4
SCHEMBL4250786 0.77 HTR3E (0.49) HSD17B2GRM1HSD17B1GPBAR1CES2
SCHEMBL255000 0.73 CES2 (0.61) ERN1GRM1CES2CES1OPRM1
SCHEMBL29482201 0.73 CES2 (0.61) ERN1GRM1CES2CES1OPRM1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2016-07-14 US disclosed
US-9296707-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2016-03-29 US disclosed
US-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US disclosed
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-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
US-8575169-B2 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-11-05 US disclosed
US-8551998-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-10-08 US disclosed
US-8476280-B2 Modulate contraction, relaxation of muscles VERSI GROUP, LLC (US) 2013-07-02 US disclosed
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds CHANG KWEN-JEN (US) 2013-02-28 US disclosed
EP-1469850-B1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2013-01-02 EP 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
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 US disclosed
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO disclosed
US-20020052007-A1 Diarylmethylbenzylpiperazines and corresponding halobenzyl derivatives ENTA HOLDING LLC 2002-05-02 US disclosed
EP-0711289-B1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP disclosed
US-5681830-A DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES DELTA PHARMACEUTICALS, INC. (US) 1997-10-28 US disclosed
US-5574159-A DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING DELTA PHARMACEUTICALS, INC. (US) 1996-11-12 US disclosed
US-5552404-A COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS DELTA PHARMACEUTICALS, INC. (US) 1996-09-03 US disclosed
EP-0711289-A1 PIPERAZINE COMPOUNDS USED IN THERAPY DELTA PHARMACEUTICALS, INC. (US) 1996-05-15 EP disclosed
WO-1995004051-A1 PIPERAZINE COMPOUNDS USED IN THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-02-09 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 (4 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-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 UNG 4232/4885HSD17B2 435/4885ERN1 1130/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 UNG 3384/4885HSD17B2 227/4885ERN1 1618/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 UNG 4232/4885HSD17B2 435/4885ERN1 1130/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 UNG 3384/4885HSD17B2 227/4885ERN1 1618/4885

“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.