SCHEMBL5168563

SCHEMBL5168563

CN(C)CC1CCCCC(=Cc2ccccc2)C1(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.43
OPRK1 P41145 8/20 0.41
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
OPRM1 P35372 7/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC22A1 O15245 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRL1 P41146 1/20 0.39
KCNN4 O15554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL5168554 1.00 OPRD1 (0.43) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5172029 0.97 OPRD1 (0.43) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5171492 0.97 OPRD1 (0.43) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5170258 0.91 SLC6A2 (0.46) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5170265 0.91 SLC6A2 (0.46) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5170298 0.90 OPRD1 (0.39) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5171889 0.90 OPRD1 (0.39) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5169532 0.89 SLC6A2 (0.51) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5169989 0.89 SLC6A2 (0.51) OPRD1OPRK1SLC6A2SLC6A4OPRM1
SCHEMBL5170848 0.88 SLC6A2 (0.45) OPRD1OPRK1SLC6A2SLC6A4OPRM1

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 10 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
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 WO claimed
EP-1322590-B1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES GRUENENTHAL GMBH (DE) 2007-05-02 EP disclosed
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
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed
WO-2002028816-A1 SUBSTITUTED 5-AMINO-1-PENTENE-3-OL DERIVATIVES BUSCHMANN, HELMUT 2002-04-11 WO 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 OPRD1 211/4885OPRK1 146/4885SLC6A2 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.