SCHEMBL5169907

SCHEMBL5169907

CN(C)CC1CCC(=Cc2ccccc2)C1(O)Cc1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
OPRK1 P41145 8/20 0.38
OPRD1 P41143 3/20 0.38
OPRM1 P35372 1/20 0.38
GAA P10253 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
HSD11B1 P28845 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL5170386 1.00 SMN1; SMN2 (0.40) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5170958 0.94 SMN1; SMN2 (0.39) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5170268 0.94 SMN1; SMN2 (0.39) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5171001 0.93 OPRK1 (0.38) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5171005 0.93 OPRK1 (0.38) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5168683 0.90 OPRK1 (0.43) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5168680 0.90 OPRK1 (0.43) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5168349 0.89 OPRK1 (0.34) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5171791 0.89 OPRK1 (0.34) SMN1; SMN2TDP1OPRK1OPRD1OPRM1
SCHEMBL5171484 0.89 SMN1; SMN2 (0.38) SMN1; SMN2TDP1OPRK1OPRD1OPRM1

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 SMN1; SMN2 4219/4885TDP1 3162/4885OPRK1 146/4885

“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.