SCHEMBL4576804

SCHEMBL4576804

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

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.71
CYP3A4 P08684 4/20 0.71
OPRD1 P41143 3/20 0.71
CYP2C9 P11712 3/20 0.71
HPGD P15428 3/20 0.71
OPRM1 P35372 1/20 0.71
OPRK1 P41145 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
KDM4E B2RXH2 2/20 0.59
CYP2C19 P33261 2/20 0.59

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
SCHEMBL12018010 1.00 CYP1A2 (0.71) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL12018006 0.92 CYP1A2 (0.69) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL4639116 0.92 CYP1A2 (0.69) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL7614888 0.90 CYP1A2 (0.71) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL4575788 0.90 CYP3A4 (0.75) CYP1A2CYP3A4OPRD1OPRM1OPRK1
SCHEMBL14441050 0.90 CYP3A4 (0.75) CYP1A2CYP3A4OPRD1OPRM1OPRK1
SCHEMBL14343779 0.90 CYP3A4 (0.75) CYP1A2CYP3A4OPRD1OPRM1OPRK1
SCHEMBL12016545 0.89 CYP1A2 (0.56) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL4577164 0.88 OPRD1 (0.75) CYP1A2CYP3A4OPRD1CYP2C9HPGD
SCHEMBL17158189 0.88 OPRD1 (0.75) CYP1A2CYP3A4OPRD1CYP2C9HPGD

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US claimed
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 claimed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US claimed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 US claimed
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-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-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
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 EP 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-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO 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 (8 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 CYP1A2 2383/4885CYP3A4 3126/4885OPRD1 9/4885
US-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP1A2 760/4885CYP3A4 675/4885OPRD1 1/4885
US-20170290823-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 CYP1A2 1084/4885CYP3A4 2300/4885OPRD1 1/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 CYP1A2 656/4885CYP3A4 804/4885OPRD1 1/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP1A2 760/4885CYP3A4 675/4885OPRD1 1/4885
US-10071093-B2 Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity OPRD1, OPRM1, OPRK1 CYP1A2 1084/4885CYP3A4 2300/4885OPRD1 1/4885
US-20140315922-A1 METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY OPRD1, OPRM1, OPRK1 CYP1A2 1084/4885CYP3A4 2300/4885OPRD1 1/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP1A2 760/4885CYP3A4 675/4885OPRD1 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.