SCHEMBL5146343

SCHEMBL5146343

C[C@@H]1CN(c2c(O)cccc2Cc2cccc(C(=O)N(C)c3cccc(F)c3)c2)[C@@H](C)CN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
PDK3 Q15120 3/20 0.39
PDK4 Q16654 3/20 0.39
MLNR O43193 2/20 0.36
ACHE P22303 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL4591531 0.96 OPRD1 (0.45) OPRD1MEN1KMT2APDK1PDK2
SCHEMBL4576511 0.89 OPRD1 (0.59) OPRD1
SCHEMBL4599120 0.88 OPRD1 (0.44) OPRD1MEN1KMT2APDK1PDK2
SCHEMBL8930486 0.79 OPRD1 (0.55) OPRD1
SCHEMBL9212660 0.76 KDM4E (0.41) OPRD1HPGD
SCHEMBL5146349 0.75 OPRD1 (0.77) OPRD1
SCHEMBL12016536 0.75 OPRD1 (0.77) OPRD1
SCHEMBL17909955 0.73 OPRD1 (0.61) OPRD1
SCHEMBL6915923 0.73 OPRD1 (0.43) OPRD1HPGD
SCHEMBL12016532 0.70 OPRD1 (0.77) OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8865721-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2014-10-21 US disclosed
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC (US) 2014-01-30 US disclosed
US-8575169-B2 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-11-05 US disclosed
US-8551998-B2 Delta opioid receptor agonist compounds VERSI GROUP, LLC (US) 2013-10-08 US disclosed
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds CHANG KWEN-JEN (US) 2013-02-28 US disclosed
EP-1469850-B1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP LLC (US) 2013-01-02 EP disclosed
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS VERSI GROUP, LLC 2012-08-30 US disclosed
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS MOUNT COOK BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 US 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 (6 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-20160200689-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885MEN1 4866/4885KMT2A 4079/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 OPRD1 1/4885MEN1 4868/4885KMT2A 3678/4885
US-20070173515-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885MEN1 4866/4885KMT2A 4079/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885MEN1 4866/4885KMT2A 4079/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 OPRD1 1/4885MEN1 4866/4885KMT2A 4079/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 OPRD1 1/4885MEN1 4868/4885KMT2A 3678/4885

“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.