SCHEMBL5170458

SCHEMBL5170458

COc1ccc(C=C2CCC(CN(C)C)C2(O)Cc2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
NFE2L2 Q16236 2/20 0.40
RELA Q04206 1/20 0.40
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
OPRM1 P35372 4/20 0.39
SLC22A1 O15245 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
HTR1A P08908 1/20 0.35
MAOB P27338 2/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 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
SCHEMBL5170453 1.00 OPRD1 (0.43) OPRD1OPRK1NFE2L2RELASLC6A4
SCHEMBL5170771 0.92 HSP90AA1 (0.47) OPRD1OPRK1NFE2L2SLC6A4SLC6A2
SCHEMBL5170777 0.92 HSP90AA1 (0.47) OPRD1OPRK1NFE2L2SLC6A4SLC6A2
SCHEMBL5169230 0.91 SLC6A2 (0.45) OPRD1OPRK1RELASLC6A4SLC6A2
SCHEMBL5168718 0.91 SLC6A2 (0.45) OPRD1OPRK1RELASLC6A4SLC6A2
SCHEMBL5171402 0.90 OPRD1 (0.38) OPRD1OPRK1SLC6A4SLC6A2OPRM1
SCHEMBL5169614 0.90 OPRD1 (0.38) OPRD1OPRK1SLC6A4SLC6A2OPRM1
SCHEMBL5171464 0.89 RELA (0.42) OPRD1OPRK1RELASLC6A4SLC6A2
SCHEMBL5171469 0.89 RELA (0.42) OPRD1OPRK1RELASLC6A4SLC6A2
SCHEMBL5168683 0.89 OPRK1 (0.43) OPRD1OPRK1RELASLC6A4SLC6A2

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 OPRD1 211/4885OPRK1 146/4885NFE2L2 807/4885

“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.