SCHEMBL5300566

SCHEMBL5300566

CCN(CC)C(=O)c1ccc(C(c2cccc(O)c2)N2C[C@@H](C)N(Cc3cccc(F)c3)C[C@H]2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 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
SCHEMBL14441049 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12018148 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576661 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL14343545 1.00 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12017985 0.94 OPRD1 (0.76) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12017979 0.93 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL12018160 0.93 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3111930 0.93 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576944 0.93 OPRD1 (0.72) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL4576255 0.93 OPRD1 (0.72) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY VERSI GROUP, LLC (US) 2014-10-23 US disclosed
US-8642599-B2 Method of treating Parkinson's Disease with diarylmethylpiperazine compounds exhibiting delta receptor agonist activity VERSI GROUP, LLC (US) 2014-02-04 US disclosed
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY DMK PHARMACEUTICALS CORPORATION 2007-03-22 US disclosed
WO-2007027987-A2 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY MOUNT COOK BIOSCIENCES, INC. (US) 2007-03-08 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-10973815-B2 Delta opioid agonist mu opioid antagonist compositions and methods for treating Parkinsons disease OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 989/4885CYP3A4 1116/4885
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 1084/4885CYP3A4 2300/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 989/4885CYP3A4 1116/4885
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 1084/4885CYP3A4 2300/4885
US-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 1084/4885CYP3A4 2300/4885
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885CYP1A2 1017/4885CYP3A4 1287/4885
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885CYP1A2 894/4885CYP3A4 2084/4885

“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.