Sugi Predict

Sugi Predict / Compounds / SCHEMBL232128

SCHEMBL232128

SCHEMBL232128

C=CCN1C[C@@H](C)N(C(c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 1.00
▸ CYP1A2 P05177 4/20 1.00
▸ OPRD1 P41143 4/20 1.00
▸ CYP2C9 P11712 3/20 1.00
▸ HPGD P15428 3/20 1.00
▸ OPRM1 P35372 2/20 1.00
▸ OPRK1 P41145 2/20 1.00
▸ SIGMAR1 Q99720 1/20 1.00
▸ KDM4E B2RXH2 2/20 0.83
▸ CYP2C19 P33261 2/20 0.83
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ CYP2D6 P10635 2/20 0.80
▸ LMNA P02545 1/20 0.80
▸ BLM P54132 1/20 0.80
▸ PMP22 Q01453 1/20 0.80
▸ MAPT P10636 1/20 0.80
▸ TDP1 Q9NUW8 1/20 0.80
▸ NFKB1 P19838 1/20 0.80

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
SCHEMBL6934906 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL29457703 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6933968 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL6557492 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4575410 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL4576328 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232384 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232385 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL12019442 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD
SCHEMBL232127 1.00 CYP3A4 (1.00) CYP3A4CYP1A2OPRD1CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 — — US claimed
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates NEKTAR THERAPEUTICS (US) 2012-01-05 — — US claimed
US-11529340-B2 Combination for treating pain REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-12-20 — — US disclosed
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-20200289489-A1 COMBINATION FOR TREATING PAIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-09-17 — — 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
EP-3432884-A1 COMBINATION FOR TREATING PAIN Regents of the University of Minnesota (US) 2019-01-30 — — 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
US-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME ENTA HOLDING LLC 2008-05-29 — — US disclosed
US-7314880-B2 Cardioprotective delta opioid receptor agonists and methods of using same MOUNT COOK BIOSCIENCES, INC. (US) 2008-01-01 — — US disclosed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 — — US 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-20040171622-A1 Cardioprotective delta opioid receptor agonists and methods of using same DMK PHARMACEUTICALS CORPORATION 2004-09-02 — — US disclosed
WO-2004060321-A2 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME ARDENT PHARMACEUTICALS, INC. (US) 2004-07-22 — — WO disclosed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 — — 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 (13 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 CYP3A4 1116/4885CYP1A2 989/4885OPRD1 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-20040171622-A1 Cardioprotective delta opioid receptor agonists and methods of using same OPRD1, OPRK1, OPRM1 CYP3A4 2593/4885CYP1A2 2152/4885OPRD1 1/4885
US-20190038620-A1 DELTA OPIOID AGONIST MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 CYP3A4 1116/4885CYP1A2 989/4885OPRD1 1/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 CYP3A4 675/4885CYP1A2 760/4885OPRD1 1/4885
US-20200289489-A1 COMBINATION FOR TREATING PAIN OPRL1, ACHE, OPRK1 CYP3A4 2957/4885CYP1A2 1796/4885OPRD1 6/4885
US-11529340-B2 Combination for treating pain OPRL1, ACHE, OPRK1 CYP3A4 2957/4885CYP1A2 1796/4885OPRD1 6/4885
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-20210220349-A1 DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSONS DISEASE OPRD1, OPRK1, OPRM1 CYP3A4 1287/4885CYP1A2 1017/4885OPRD1 1/4885
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates BIRC5, MTX2, IAPP CYP3A4 771/4885CYP1A2 493/4885OPRD1 2294/4885
US-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME OPRD1, OPRK1, OPRM1 CYP3A4 2593/4885CYP1A2 2152/4885OPRD1 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.