SCHEMBL5300451

SCHEMBL5300451

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.72
OPRM1 P35372 3/20 0.72
CYP3A4 P08684 3/20 0.72
CYP1A2 P05177 2/20 0.72
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
CYP2D6 P10635 2/20 0.69
LMNA P02545 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
MAPT P10636 1/20 0.69
OPRK1 P41145 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
NFKB1 P19838 1/20 0.69

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
SCHEMBL4585750 0.94 OPRD1 (0.64) OPRD1OPRM1CYP3A4CYP1A2MEN1
Hydrochloric Acid SCHEMBL8892422 0.90 OPRD1 (0.66) OPRD1OPRM1CYP3A4CYP1A2MEN1
SCHEMBL236139 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL236138 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4576571 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL233715 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4575507 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL4575467 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL18661816 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1
SCHEMBL233716 0.88 OPRD1 (0.67) OPRD1OPRM1CYP3A4CYP1A2OPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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-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-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-20140315922-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-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 OPRD1 1/4885OPRM1 2/4885CYP3A4 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.