SCHEMBL4376535

SCHEMBL4376535

CC1CCCC(CN(C)C)C1(O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SLC6A4 P31645 13/20 0.47
SLC6A2 P23975 12/20 0.47
OPRM1 P35372 10/20 0.47
OPRK1 P41145 6/20 0.47
OPRD1 P41143 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A1 O15245 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A3 Q01959 4/20 0.44
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41

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
SCHEMBL4370251 0.87 SLC6A4 (0.40) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL6784987 0.86 OPRM1 (0.64) SLC6A4SLC6A2OPRM1OPRK1OPRD1
SCHEMBL6744715 0.86 OPRM1 (0.64) SLC6A4SLC6A2OPRM1OPRK1OPRD1
SCHEMBL6741527 0.86 OPRM1 (0.64) SLC6A4SLC6A2OPRM1OPRK1OPRD1
SCHEMBL4374755 0.85 SLC6A4 (0.47) SLC6A4SLC6A2OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL6780749 0.85 OPRM1 (0.62) SLC6A4SLC6A2OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL6780745 0.85 OPRM1 (0.62) SLC6A4SLC6A2OPRM1OPRK1OPRD1
Hydrochloric Acid SCHEMBL7186390 0.85 OPRM1 (0.62) SLC6A4SLC6A2OPRM1OPRK1OPRD1
SCHEMBL4370585 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TDP1SLC6A4SLC6A2OPRM1
SCHEMBL4374880 0.83 SLC6A2 (0.66) SLC6A4SLC6A2OPRM1OPRK1OPRD1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322592-B2 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2009-06-17 EP claimed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US claimed
EP-1322592-B1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP claimed
CN-1466567-A Substituted 1-aminobutan-3-01 derivatives 2004-01-07 CN claimed
US-20030216393-A1 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2003-11-20 US claimed
EP-1322592-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP claimed
WO-2002028817-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2002-04-11 WO claimed
EP-1322592-B2 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2009-06-17 EP disclosed
CN-100391933-C Substituted 1-aminobutan-3-01 derivatives GRLENTHAL GMBH (DE) 2008-06-04 CN disclosed
US-7022739-B2 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2006-04-04 US disclosed
EP-1322592-B1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP disclosed
CN-1466567-A Substituted 1-aminobutan-3-01 derivatives 2004-01-07 CN disclosed
US-20030216393-A1 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2003-11-20 US disclosed
EP-1322592-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002028817-A1 SUBSTITUTED 1-AMINOBUTAN-3-OL DERIVATIVES Grünenthal GmbH (DE) 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-20030216393-A1 Substituted 1-aminobutan-3-ol compounds CYP3A43, UGT1A3, UGT2B7 SMN1; SMN2 2970/4885TDP1 3827/4885SLC6A4 3269/4885

“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.