SCHEMBL5170935

SCHEMBL5170935

COc1cccc(C=C2CCC(CN(C)C)C2(O)c2ccccc2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
OPRD1 P41143 7/20 0.47
SLC6A2 P23975 9/20 0.44
SLC6A4 P31645 9/20 0.44
OPRM1 P35372 6/20 0.44
OPRK1 P41145 3/20 0.44
SLC22A1 O15245 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL5170931 1.00 HSP90AA1 (0.48) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5171553 0.94 SLC6A2 (0.48) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5172319 0.94 SLC6A2 (0.48) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5171186 0.93 SLC6A2 (0.49) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5171175 0.93 SLC6A2 (0.49) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5171593 0.90 HSP90AA1 (0.48) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5171588 0.90 HSP90AA1 (0.48) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5170259 0.90 OPRD1 (0.44) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5170249 0.90 OPRD1 (0.44) HSP90AA1CCR6OPRD1SLC6A2SLC6A4
SCHEMBL5170123 0.90 OPRD1 (0.46) HSP90AA1CCR6OPRD1SLC6A2SLC6A4

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 HSP90AA1 3894/4885CCR6 3774/4885OPRD1 211/4885

“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.