SCHEMBL5169370

SCHEMBL5169370

CN(C)CC1CCCC(=Cc2ccccc2)C1(O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.42
OPRM1 P35372 10/20 0.39
OPRL1 P41146 7/20 0.39
OPRK1 P41145 4/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HRH2 P25021 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 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
SCHEMBL5169365 1.00 OPRD1 (0.42) OPRD1OPRM1OPRL1OPRK1SCN1A
SCHEMBL5169824 0.94 OPRD1 (0.39) OPRD1OPRM1OPRL1OPRK1SCN1A
SCHEMBL5169743 0.94 OPRD1 (0.39) OPRD1OPRM1OPRL1OPRK1SCN1A
SCHEMBL5168072 0.90 SLC6A2 (0.41) OPRD1OPRM1OPRL1OPRK1SLC6A2
SCHEMBL5168065 0.90 SLC6A2 (0.41) OPRD1OPRM1OPRL1OPRK1SLC6A2
SCHEMBL5169679 0.89 SLC6A2 (0.44) OPRD1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL5169685 0.89 SLC6A2 (0.44) OPRD1OPRM1OPRK1SLC6A2SLC6A4
SCHEMBL5170503 0.86 SLC6A2 (0.46) OPRD1OPRM1OPRL1OPRK1SLC6A2
SCHEMBL5170791 0.86 SLC6A2 (0.46) OPRD1OPRM1OPRL1OPRK1SLC6A2
SCHEMBL5167691 0.85 SLC6A4 (0.40) OPRD1OPRM1OPRK1SLC6A2SLC6A4

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 10 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
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 OPRD1 211/4885OPRM1 294/4885OPRL1 577/4885

“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.