SCHEMBL5170353

SCHEMBL5170353

COc1ccccc1C1(O)/C(=C\c2ccc(Cl)cc2)CCCC1CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.40
CCR6 P51684 1/20 0.37
AKR1C3 P42330 2/20 0.37
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
OPRM1 P35372 3/20 0.35
SLC22A1 O15245 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C1 Q04828 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 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
SCHEMBL5170360 1.00 OPRD1 (0.40) OPRD1CCR6AKR1C3SLC6A2SLC6A4
SCHEMBL5172533 0.93 OPRD1 (0.43) OPRD1CCR6SLC6A2SLC6A4OPRM1
SCHEMBL5171858 0.93 OPRD1 (0.43) OPRD1CCR6SLC6A2SLC6A4OPRM1
SCHEMBL5169206 0.91 OPRD1 (0.41) OPRD1CCR6SLC6A2SLC6A4OPRM1
SCHEMBL5169214 0.91 OPRD1 (0.41) OPRD1CCR6SLC6A2SLC6A4OPRM1
SCHEMBL5170933 0.90 OPRD1 (0.42) OPRD1SLC6A2SLC6A4OPRM1SLC22A1
SCHEMBL5170633 0.90 OPRD1 (0.42) OPRD1SLC6A2SLC6A4OPRM1SLC22A1
SCHEMBL5169473 0.89 OPRD1 (0.36) OPRD1CCR6AKR1C3SLC6A2SLC6A4
SCHEMBL5171524 0.89 OPRD1 (0.36) OPRD1CCR6AKR1C3SLC6A2SLC6A4
SCHEMBL5169836 0.88 SLC6A4 (0.41) OPRD1CCR6SLC6A2SLC6A4OPRM1

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 5 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
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

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 OPRD1 211/4885CCR6 3774/4885AKR1C3 1384/4885

“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.