SCHEMBL5169897

SCHEMBL5169897

COc1cccc(C=C2CCCCC(CN(C)C)C2(O)Cc2cccc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.48
SLC6A4 P31645 13/20 0.48
OPRM1 P35372 10/20 0.48
SLC22A1 O15245 3/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HSP90AA1 P07900 1/20 0.46
CCR6 P51684 1/20 0.46
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 2/20 0.36

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
SCHEMBL5169893 1.00 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5169991 0.93 HSP90AA1 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5169644 0.93 HSP90AA1 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5170313 0.93 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5171189 0.93 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5170815 0.93 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5170812 0.93 SLC6A2 (0.50) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5169314 0.90 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5169318 0.90 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1SLC22A1OPRD1
SCHEMBL5169955 0.90 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1SLC22A1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP claimed
US-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US claimed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US claimed
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 WO claimed
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP disclosed
US-6815443-B2 CARBOCYCLIC OXY AMINES SUCH AS 2-BENZYLIDENE-6-DIMETHYLAMINO METHYLCYCLOHEXANONE, USED AS ANALGESICS GRUENENTHAL GMBH (DE) 2004-11-09 US disclosed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US disclosed
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 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 (1 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-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives ALOX5, PGA5, ANXA5 SLC6A2 2600/4885SLC6A4 1810/4885OPRM1 294/4885

“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.