SCHEMBL4577164

SCHEMBL4577164

CCN(CC)C(=O)c1ccc([C@H](c2cccc(O)c2)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.75
CYP1A2 P05177 3/20 0.75
CYP3A4 P08684 3/20 0.75
CYP2C9 P11712 3/20 0.75
HPGD P15428 3/20 0.75
OPRM1 P35372 1/20 0.75
OPRK1 P41145 1/20 0.75
SIGMAR1 Q99720 1/20 0.75
KDM4E B2RXH2 2/20 0.66
CYP2C19 P33261 2/20 0.66

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
SCHEMBL17158189 1.00 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL29457725 1.00 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12018159 1.00 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5143696 1.00 OPRD1 (0.75) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12017985 0.95 OPRD1 (0.76) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4577159 0.95 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4591150 0.95 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5078483 0.95 CYP1A2 (0.73) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5082997 0.93 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL5083008 0.93 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 US claimed
EP-3432884-A1 COMBINATION FOR TREATING PAIN Regents of the University of Minnesota (US) 2019-01-30 EP claimed
WO-2017165558-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-09-28 WO claimed
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds CHANG KWEN-JEN (US) 2013-02-28 US claimed
EP-1469850-B1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2013-01-02 EP claimed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US claimed
EP-1469850-A4 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2008-03-12 EP claimed
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 EP claimed
WO-2003057223-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO claimed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 US claimed
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO claimed
US-11529340-B2 Combination for treating pain REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-12-20 US disclosed
US-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 US disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030144299-A1 Method of treating depression with delta receptor agonist compounds CHRND, CHRNE, CHRNA3 OPRD1 9/4885CYP1A2 2383/4885CYP3A4 3126/4885
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 760/4885CYP3A4 675/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 656/4885CYP3A4 804/4885
US-20200289489-A1 COMBINATION FOR TREATING PAIN OPRL1, ACHE, OPRK1 OPRD1 6/4885CYP1A2 1796/4885CYP3A4 2957/4885
US-11529340-B2 Combination for treating pain OPRL1, ACHE, OPRK1 OPRD1 6/4885CYP1A2 1796/4885CYP3A4 2957/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 760/4885CYP3A4 675/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 656/4885CYP3A4 804/4885

“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.