SCHEMBL5170771

SCHEMBL5170771

COc1cccc(/C=C2\CCC(CN(C)C)C2(O)Cc2cccc(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
CCR6 P51684 1/20 0.47
OPRK1 P41145 4/20 0.47
OPRD1 P41143 3/20 0.47
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 9/20 0.43
OPRM1 P35372 6/20 0.43
SLC22A1 O15245 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MEN1 O00255 1/20 0.43
NFE2L2 Q16236 1/20 0.41
MAOB P27338 1/20 0.39
PPARG P37231 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5170777 1.00 HSP90AA1 (0.47) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5170453 0.92 OPRD1 (0.43) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5170458 0.92 OPRD1 (0.43) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5170342 0.91 HSP90AA1 (0.49) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5170348 0.91 HSP90AA1 (0.49) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5169991 0.89 HSP90AA1 (0.48) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5169644 0.89 HSP90AA1 (0.48) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5171680 0.89 HSP90AA1 (0.47) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5172148 0.89 HSP90AA1 (0.47) HSP90AA1CCR6OPRK1OPRD1SLC6A2
SCHEMBL5169614 0.88 OPRD1 (0.38) OPRK1OPRD1SLC6A2SLC6A4OPRM1

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 HSP90AA1 3894/4885CCR6 3774/4885OPRK1 146/4885

“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.