SCHEMBL3573709

SCHEMBL3573709

C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)O)c2)C[C@H]1C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
HPGD P15428 1/20 0.71
OPRM1 P35372 1/20 0.71
OPRK1 P41145 1/20 0.71
SIGMAR1 Q99720 1/20 0.71

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
SCHEMBL3573713 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12017984 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3565737 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3565736 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL13440482 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6933027 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL9194394 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6935564 0.93 OPRD1 (0.78) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575846 0.91 OPRD1 (0.70) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4575842 0.91 OPRD1 (0.70) 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 23 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
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-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
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 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
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
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO 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 (5 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 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-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 760/4885CYP3A4 675/4885
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.