SCHEMBL5170803

SCHEMBL5170803

COc1cccc(C=C2CCCCC(C)(N(C)C)C2(O)c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.39
OPRD1 P41143 5/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
OPRK1 P41145 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
HTR1D P28221 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
HTR2B P41595 2/20 0.39
HTR6 P50406 2/20 0.39
HRH1 P35367 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL5170874 0.97 OPRM1 (0.39) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5168081 0.88 OPRM1 (0.44) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5170503 0.79 SLC6A2 (0.46) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5170791 0.79 SLC6A2 (0.46) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5169679 0.78 SLC6A2 (0.44) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5169685 0.78 SLC6A2 (0.44) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5169692 0.77 GRIN2B (0.38) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5169688 0.76 GRIN2B (0.39) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5168072 0.68 SLC6A2 (0.41) OPRM1OPRD1SLC6A2SLC6A4OPRK1
SCHEMBL5168065 0.68 SLC6A2 (0.41) OPRM1OPRD1SLC6A2SLC6A4OPRK1

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 claimed
US-20030220390-A1 5-Amino-1-pentene-3-ol substituted derivatives GRUENENTHAL GMBH (DE) 2003-11-27 US claimed

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 OPRM1 294/4885OPRD1 211/4885SLC6A2 2600/4885

“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.