SCHEMBL5170791

SCHEMBL5170791

COc1cccc(/C=C2\CCCCC(CN(C)C)C2(O)c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.46
SLC6A4 P31645 12/20 0.46
OPRM1 P35372 10/20 0.46
OPRD1 P41143 7/20 0.46
OPRK1 P41145 6/20 0.46
SLC22A1 O15245 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSP90AA1 P07900 1/20 0.41
CCR6 P51684 1/20 0.41
GRIN2B Q13224 1/20 0.37
OPRL1 P41146 1/20 0.37
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
HTR1D P28221 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
SCHEMBL5170503 1.00 SLC6A2 (0.46) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169679 0.97 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169685 0.97 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5168065 0.89 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5168072 0.89 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169532 0.86 SLC6A2 (0.51) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169989 0.86 SLC6A2 (0.51) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5170205 0.86 SLC6A2 (0.52) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169365 0.86 OPRD1 (0.42) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5168730 0.86 SLC6A2 (0.52) SLC6A2SLC6A4OPRM1OPRD1OPRK1

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 3 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 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 SLC6A2 2600/4885SLC6A4 1810/4885OPRM1 294/4885

“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.