SCHEMBL4593750

SCHEMBL4593750

CCN(CC)C(=O)c1ccc([C@H](c2cccc(OS(=O)(=O)C(F)(F)F)c2)N2C[C@@H](C)N(Cc3ccccc3F)C[C@@H]2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.60
CYP1A2 P05177 2/20 0.60
OPRD1 P41143 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 2/20 0.58
LMNA P02545 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
MAPT P10636 1/20 0.58
OPRM1 P35372 1/20 0.58
OPRK1 P41145 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NFKB1 P19838 1/20 0.58

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
SCHEMBL14343775 1.00 CYP3A4 (0.60) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL14343779 0.90 CYP3A4 (0.75) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4575788 0.90 CYP3A4 (0.75) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL14441050 0.90 CYP3A4 (0.75) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4593749 0.89 CYP3A4 (0.47) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL14343774 0.89 CYP3A4 (0.47) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4576772 0.89 CYP3A4 (0.61) CYP3A4CYP1A2OPRD1MEN1KMT2A
SCHEMBL4639116 0.88 CYP1A2 (0.69) CYP3A4CYP1A2OPRD1OPRM1OPRK1
SCHEMBL12018006 0.88 CYP1A2 (0.69) CYP3A4CYP1A2OPRD1OPRM1OPRK1
SCHEMBL5141902 0.87 CYP3A4 (0.62) CYP3A4CYP1A2OPRD1MEN1KMT2A

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 25 patents — showing the first 20. 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-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-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-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 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-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
EP-1450807-B1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2013-12-25 EP disclosed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 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
US-7030124-B2 Method of treating depression with delta receptor agonist compounds ARDENT PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
EP-1450807-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-09-01 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
US-20030144299-A1 Method of treating depression with delta receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-07-31 US disclosed
WO-2003037342-A1 METHOD OF TREATING DEPRESSION WITH DELTA RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed
US-20020052007-A1 Diarylmethylbenzylpiperazines and corresponding halobenzyl derivatives ENTA HOLDING LLC 2002-05-02 US 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 (9 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 CYP3A4 3126/4885CYP1A2 2383/4885OPRD1 9/4885
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 CYP3A4 2300/4885CYP1A2 1084/4885OPRD1 1/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 CYP3A4 804/4885CYP1A2 656/4885OPRD1 1/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity OPRD1, OPRM1, OPRK1 CYP3A4 2300/4885CYP1A2 1084/4885OPRD1 1/4885
US-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 CYP3A4 2300/4885CYP1A2 1084/4885OPRD1 1/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20070066625-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 CYP3A4 2084/4885CYP1A2 894/4885OPRD1 1/4885

“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.