SCHEMBL5169810

SCHEMBL5169810

COc1cccc(CC2CCC(CN(C)C)C2(O)C#Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.46
SLC6A2 P23975 7/20 0.46
OPRD1 P41143 5/20 0.46
OPRK1 P41145 5/20 0.46
OPRM1 P35372 4/20 0.46
SLC22A1 O15245 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.40
PTGES O14684 1/20 0.40
CALM1 P0DP23 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
GRM5 P41594 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
SCHEMBL4376530 0.83 SLC6A2 (0.38) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL4665387 0.82 SLC6A4 (0.44) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL4371906 0.81 SLC6A2 (0.48) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL5168605 0.79 SLC6A4 (0.47) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL5170554 0.77 SLC6A4 (0.46) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL5170519 0.77 SLC6A2 (0.58) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL4663491 0.76 SLC6A4 (0.47) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL27606630 0.76 SLC6A4 (0.45) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL5169345 0.76 SLC6A2 (0.55) SLC6A4SLC6A2OPRD1OPRK1OPRM1
SCHEMBL5169122 0.76 SLC6A2 (0.52) SLC6A4SLC6A2OPRD1OPRK1OPRM1

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 12 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
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
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 SLC6A4 1810/4885SLC6A2 2600/4885OPRD1 211/4885

“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.