SCHEMBL5169955

SCHEMBL5169955

COc1ccc(/C=C2\CCCC(CN(C)C)C2(O)Cc2cccc(C)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.42
SLC6A4 P31645 12/20 0.42
OPRM1 P35372 9/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SLC22A1 O15245 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
RELA Q04206 1/20 0.40
HSP90AA1 P07900 1/20 0.38
CCR6 P51684 1/20 0.38
MAPT P10636 1/20 0.35
GPR183 P32249 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL5169961 1.00 SLC6A2 (0.42) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5171189 0.97 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5170313 0.97 SLC6A2 (0.44) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5171469 0.94 RELA (0.42) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5171464 0.94 RELA (0.42) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5170318 0.90 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5170325 0.90 SLC6A2 (0.41) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5172223 0.90 SLC6A2 (0.37) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5171985 0.90 SLC6A2 (0.37) SLC6A2SLC6A4OPRM1MEN1KMT2A
SCHEMBL5169893 0.90 SLC6A2 (0.48) SLC6A2SLC6A4OPRM1MEN1KMT2A

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.