SCHEMBL5169042

SCHEMBL5169042

COc1ccc(C=C2CCCCC(CN(C)C)C2(O)c2ccccc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.41
SLC6A2 P23975 13/20 0.41
OPRM1 P35372 9/20 0.41
OPRD1 P41143 4/20 0.41
SLC22A1 O15245 2/20 0.41
KMT2A Q03164 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.35
CCR6 P51684 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL5169836 1.00 SLC6A4 (0.41) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5169206 0.97 OPRD1 (0.41) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5169214 0.97 OPRD1 (0.41) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5170933 0.94 OPRD1 (0.42) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5170633 0.94 OPRD1 (0.42) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5170249 0.93 OPRD1 (0.44) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5170259 0.93 OPRD1 (0.44) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5172533 0.91 OPRD1 (0.43) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5171858 0.91 OPRD1 (0.43) SLC6A4SLC6A2OPRM1OPRD1SLC22A1
SCHEMBL5171175 0.90 SLC6A2 (0.49) SLC6A4SLC6A2OPRM1OPRD1SLC22A1

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 SLC6A4 1810/4885SLC6A2 2600/4885OPRM1 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.