SCHEMBL5169865

SCHEMBL5169865

CN(C)CC1CCC(=Cc2ccccc2)C1(O)Cc1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.34
OPRD1 P41143 3/20 0.34
OPRM1 P35372 2/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC6A3 Q01959 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AQP1 P29972 1/20 0.33
CYP2D6 P10635 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
OPRL1 P41146 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
SCHEMBL5170996 1.00 OPRK1 (0.34) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5170193 0.93 SLC6A2 (0.37) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5170767 0.93 SLC6A2 (0.35) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5170189 0.93 SLC6A2 (0.37) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5170601 0.93 SLC6A2 (0.35) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5171402 0.89 OPRD1 (0.38) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5169614 0.89 OPRD1 (0.38) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5168349 0.89 OPRK1 (0.34) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5171791 0.89 OPRK1 (0.34) OPRK1OPRD1OPRM1CHRM2CHRM4
SCHEMBL5172498 0.86 SLC6A2 (0.40) OPRK1OPRD1OPRM1CHRM2CHRM4

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 14 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
CN-1649826-A Substituted 5-amino-1-penten-3-ol derivatives GRUENENTHAL GMBH (DE) 2005-08-03 CN 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
EP-1322590-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002030869-A1 5-AMINO-1-PENTENE-3-OL SUBSTITUTED DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO 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
CN-1649826-A Substituted 5-amino-1-penten-3-ol derivatives GRUENENTHAL GMBH (DE) 2005-08-03 CN 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 OPRK1 146/4885OPRD1 211/4885OPRM1 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.