SCHEMBL5311342

SCHEMBL5311342

CCN(CC)C(=O)c1ccc(Cc2cccc(O)c2N2C[C@@H](C)NC[C@@H]2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.40
OPRM1 P35372 5/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
OPRK1 P41145 2/20 0.36
HPGD P15428 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL8145779 1.00 OPRD1 (0.40) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL4575462 1.00 OPRD1 (0.40) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL8004084 0.84 OPRD1 (0.37) OPRD1OPRM1HSP90AA1HSP90AB1OPRK1
SCHEMBL6918646 0.82 CYP1A2 (0.47) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL6937908 0.82 GAA (0.35) OPRD1HPGDALDH1A1MAPT
SCHEMBL7993545 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL8009424 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL4591245 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL8002856 0.80 CYP3A4 (0.54) OPRD1OPRM1OPRK1HPGDCYP1A2
SCHEMBL6246739 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1HPGDCYP1A2ALDH1A1

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 10 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-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 (6 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 3/4885HSP90AA1 3996/4885
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 2/4885HSP90AA1 2968/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885HSP90AA1 3996/4885
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 2/4885HSP90AA1 2968/4885
US-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885HSP90AA1 3983/4885
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885HSP90AA1 3206/4885

“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.