SCHEMBL5170933

SCHEMBL5170933

COc1ccccc1C1(O)/C(=C\c2ccccc2)CCCCC1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.42
SLC6A2 P23975 10/20 0.41
SLC6A4 P31645 10/20 0.41
OPRM1 P35372 6/20 0.41
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5170633 1.00 OPRD1 (0.42) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5171858 0.97 OPRD1 (0.43) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5172533 0.97 OPRD1 (0.43) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5169042 0.94 SLC6A4 (0.41) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5169836 0.94 SLC6A4 (0.41) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5170123 0.92 OPRD1 (0.46) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5171241 0.92 OPRD1 (0.46) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5169214 0.91 OPRD1 (0.41) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5169206 0.91 OPRD1 (0.41) OPRD1SLC6A2SLC6A4OPRM1OPRK1
SCHEMBL5171175 0.90 SLC6A2 (0.49) OPRD1SLC6A2SLC6A4OPRM1OPRK1

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 211/4885SLC6A2 2600/4885SLC6A4 1810/4885

“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.