SCHEMBL233716

SCHEMBL233716

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.67
OPRM1 P35372 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
OPRK1 P41145 1/20 0.67
SIGMAR1 Q99720 1/20 0.67

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
SCHEMBL4575507 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL233715 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4576571 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL236139 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL4575467 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL18661816 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL236138 1.00 OPRD1 (0.67) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL8930430 0.93 OPRM1 (0.58) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL8930437 0.93 OPRM1 (0.58) OPRD1OPRM1CYP1A2CYP3A4CYP2C9
SCHEMBL8930446 0.93 OPRM1 (0.58) OPRD1OPRM1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates NEKTAR THERAPEUTICS (US) 2012-01-05 US claimed
JP-2011510078-A 2011-03-31 JP claimed
EP-2249872-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES Nektar Therapeutics (US) 2010-11-17 EP claimed
WO-2009094209-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-30 WO claimed
EP-2249872-B1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS (US) 2017-03-22 EP disclosed
US-9314463-B2 Oligomer-diarylpiperazine conjugates NEKTAR THERAPEUTICS (US) 2016-04-19 US disclosed
US-20150335640-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS 2015-11-26 US disclosed
US-9061026-B2 Oligomer-diarylpiperazine conjugates NEKTAR THERAPEUTICS (US) 2015-06-23 US disclosed
US-20140155412-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS (US) 2014-06-05 US disclosed
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates NEKTAR THERAPEUTICS (US) 2012-01-05 US disclosed
EP-2249872-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES Nektar Therapeutics (US) 2010-11-17 EP disclosed
WO-2009094209-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS AL, CORPORATION (US) 2009-07-30 WO 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20140155412-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES BIRC5, MTX2, IAPP OPRD1 2294/4885OPRM1 574/4885CYP1A2 493/4885
US-20040171622-A1 Cardioprotective delta opioid receptor agonists and methods of using same OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP1A2 2152/4885
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates BIRC5, MTX2, IAPP OPRD1 2294/4885OPRM1 574/4885CYP1A2 493/4885
US-20080125443-A1 CARDIOPROTECTIVE DELTA OPIOID RECEPTOR AGONISTS AND METHODS OF USING SAME OPRD1, OPRK1, OPRM1 OPRD1 1/4885OPRM1 3/4885CYP1A2 2152/4885
US-20150335640-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES BIRC5, MTX2, IAPP OPRD1 2294/4885OPRM1 574/4885CYP1A2 493/4885

“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.