SCHEMBL5170773

SCHEMBL5170773

CN(C)CC1CCCC/C(=C/c2ccccc2)C1(O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A4 P31645 10/20 0.43
SLC6A2 P23975 9/20 0.43
OPRM1 P35372 8/20 0.43
OPRD1 P41143 8/20 0.43
OPRK1 P41145 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A1 O15245 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL5170776 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5169801 0.97 SMN1; SMN2 (0.46) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5169796 0.97 SMN1; SMN2 (0.46) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5170300 0.92 SMN1; SMN2 (0.45) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5170304 0.92 SMN1; SMN2 (0.45) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5172936 0.92 SLC6A4 (0.40) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5169683 0.92 SLC6A4 (0.40) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5170462 0.90 SLC6A2 (0.48) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5171790 0.90 SLC6A2 (0.48) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL5170642 0.89 SLC6A2 (0.47) SMN1; SMN2SLC6A4SLC6A2OPRM1OPRD1

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 SMN1; SMN2 4219/4885TDP1 3162/4885SLC6A4 1810/4885

“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.