SCHEMBL4576597

SCHEMBL4576597

CCN(CC)C(=O)c1ccc(C(Cl)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 1/20 0.63
OPRD1 P41143 12/20 0.62
OPRK1 P41145 1/20 0.59
OPRM1 P35372 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL8526980 0.93 HPGD (0.56) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL6796608 0.87 OPRD1 (0.60) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL4576604 0.85 ALDH1A1 (0.65) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL1986972 0.82 OPRD1 (0.62) OPRD1OPRM1
SCHEMBL6795500 0.82 HPGD (0.52) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL6797369 0.82 OPRD1 (0.60) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL72112 0.80 HPGD (0.85) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL12360012 0.80 OPRD1 (0.53) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL1934353 0.80 OPRD1 (0.53) ALDH1A1HPGDMAPTOPRD1OPRK1
SCHEMBL6777499 0.80 ALDH1A1 (0.58) ALDH1A1HPGDMAPTOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1469850-A4 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2008-03-12 EP disclosed
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 EP disclosed
US-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
WO-2003057223-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds DMK PHARMACEUTICALS CORPORATION 2003-10-02 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
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 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 (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 ALDH1A1 3272/4885HPGD 1088/4885MAPT 1722/4885
US-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 ALDH1A1 539/4885HPGD 517/4885MAPT 2353/4885
US-20030186872-A1 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 ALDH1A1 2489/4885HPGD 818/4885MAPT 2357/4885
US-20140031367-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 ALDH1A1 3272/4885HPGD 1088/4885MAPT 1722/4885
US-20120220601-A1 DELTA OPIOID RECEPTOR AGONIST COMPOUNDS OPRD1, OPRM1, OPRK1 ALDH1A1 3272/4885HPGD 1088/4885MAPT 1722/4885
US-20130053326-A9 Method of treating sexual dysfunctions with delta opioid receptor agonist compounds OPRD1, OPRK1, OPRM1 ALDH1A1 2489/4885HPGD 818/4885MAPT 2357/4885

“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.