SCHEMBL5158192

SCHEMBL5158192

CN(C)C(C1=C(c2ccccc2)CCCC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
FGF23 Q9GZV9 1/20 0.33
HTR2A P28223 2/20 0.32
HRH1 P35367 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL5159848 0.90 MEN1 (0.39) PTGS2SLC6A2SLC6A4SLC6A3TDP1
SCHEMBL5160157 0.90 SLC6A3 (0.38) PTGS2SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL5158439 0.87 CHRNB4 (0.41) SLC6A2SLC6A4CHRNB4CHRNA3ALDH1A1
SCHEMBL5159946 0.86 KIF11 (0.40) PTGS2SLC6A4ALDH1A1CYP3A4HRH3
SCHEMBL5160367 0.81 CHRNA7 (0.33) KDM4EALDH1A1CHRNA7CYP2D6MEN1
SCHEMBL5158203 0.73 GAA (0.35) SLC6A4SLC6A3KDM4EALDH1A1CHRNA7
SCHEMBL5158346 0.73 TSHR (0.34) SLC6A2SLC6A4SLC6A3ALDH1A1HTR2A
SCHEMBL5160399 0.72 KMT2A (0.35) SLC6A4SLC6A3KDM4EALDH1A1HTR2A
SCHEMBL674996 0.71 CHRNA7 (0.59) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL5160256 0.70 SIGMAR1 (0.38) SLC6A2SLC6A4SLC6A3HTR2AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP claimed
US-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US claimed
US-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2004-09-02 US claimed
EP-1406857-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2004-04-14 EP claimed
WO-2003004452-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2003-01-16 WO claimed
EP-1406857-B1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARYL-BUT-2-ENYLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2007-02-21 EP disclosed
US-7064236-B2 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2006-06-20 US disclosed
US-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds GRUNENTHAL GMBH (DE) 2004-09-02 US disclosed
EP-1406857-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003004452-A1 SUBSTITUTED 1-ARYL-BUT-3-ENYLAMINE AND 1-ARY-BUT-2-ENYLAMINE COMPOUNDS Grünenthal GmbH (DE) 2003-01-16 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-20040171615-A1 Substituted 1-aryl-but-3-enylamine and 1-aryl-but-2-enylamine compounds ADRB3, BRD4, NAT1 PTGS2 891/4885SLC6A2 268/4885SLC6A4 380/4885

“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.