SCHEMBL5170189

SCHEMBL5170189

CN(C)CC1CCCC/C(=C/c2ccccc2)C1(O)Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.37
SLC6A4 P31645 7/20 0.37
OPRM1 P35372 7/20 0.37
TRPA1 O75762 1/20 0.36
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SLC22A1 O15245 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
AQP1 P29972 1/20 0.32

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
SCHEMBL5170193 1.00 SLC6A2 (0.37) SLC6A2SLC6A4OPRM1TRPA1OPRD1
SCHEMBL5170601 0.98 SLC6A2 (0.35) SLC6A2SLC6A4OPRM1TRPA1OPRD1
SCHEMBL5170767 0.98 SLC6A2 (0.35) SLC6A2SLC6A4OPRM1TRPA1OPRD1
SCHEMBL5169865 0.93 OPRK1 (0.34) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5170996 0.93 OPRK1 (0.34) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5172498 0.93 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5168549 0.93 SLC6A2 (0.40) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5169690 0.91 SLC6A4 (0.38) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5170890 0.91 SLC6A4 (0.38) SLC6A2SLC6A4OPRM1OPRD1OPRK1
SCHEMBL5170869 0.90 SLC6A2 (0.38) 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 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 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.