SCHEMBL4576004

SCHEMBL4576004

CCN(CC)C(=O)c1ccc([C@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)N2C[C@@H](C)NC[C@@H]2C)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.56
OPRM1 P35372 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CYP2D6 P10635 2/20 0.54
LMNA P02545 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
MAPT P10636 1/20 0.54
OPRK1 P41145 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NFKB1 P19838 1/20 0.54

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
SCHEMBL12018158 1.00 OPRD1 (0.56) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4576560 0.94 OPRD1 (0.50) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL12016528 0.88 OPRD1 (0.45) OPRD1OPRM1MEN1KMT2ALMNA
SCHEMBL5300451 0.87 OPRD1 (0.72) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4576003 0.87 OPRD1 (0.43) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4577098 0.84 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL12017981 0.84 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL6935960 0.84 OPRD1 (0.56) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL12017980 0.83 CYP3A4 (0.79) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL4577073 0.83 CYP3A4 (0.79) OPRD1OPRM1CYP3A4CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US claimed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 US claimed
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE DMK PHARMACEUTICALS CORPORATION 2021-07-22 US disclosed
US-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease VERSI GROUP, LLC (US) 2021-04-13 US disclosed
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE DMK PHARMACEUTICALS CORPORATION 2019-02-07 US disclosed
EP-3436013-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE Versi Group, LLC (US) 2019-02-06 EP disclosed
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity VERSI GROUP, LLC (US) 2018-09-11 US disclosed
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY DMK PHARMACEUTICALS CORPORATION 2017-10-12 US disclosed
WO-2017173067-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE VERSI GROUP, LLC (US) 2017-10-05 WO disclosed
US-9701645-B2 Method of treating Parkinson's disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity VERSI GROUP, LLC (US) 2017-07-11 US disclosed
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2016-07-14 US disclosed
US-7030124-B2 Method of treating depression with delta receptor agonist compounds ARDENT PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 EP disclosed
EP-1450807-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003057223-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 US disclosed
US-20030144299-A1 Method of treating depression with delta receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-07-31 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
WO-2003037342-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed
US-20020052007-A1 Diarylmethylbenzylpiperazines and corresponding halobenzyl derivatives ENTA HOLDING LLC 2002-05-02 US 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 (10 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-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP3A4 1116/4885
US-20030144299-A1 Method of treating depression with delta receptor agonist compounds CHRND, CHRNE, CHRNA3 OPRD1 9/4885OPRM1 110/4885CYP3A4 3126/4885
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 675/4885
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 2300/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP3A4 804/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP3A4 1116/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 675/4885
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 2300/4885
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP3A4 1287/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 675/4885

“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.