SCHEMBL5160157

SCHEMBL5160157

CN(C)C(C1=C(c2ccc(Cl)cc2)CCCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.38
PTGS2 P35354 4/20 0.37
SLC6A2 P23975 3/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
CYP2D6 P10635 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS1 P23219 2/20 0.34
CHRM2 P08172 2/20 0.33

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 0.86 MEN1 (0.39) SLC6A3PTGS2SLC6A2MEN1KMT2A
SCHEMBL5158439 0.78 CHRNB4 (0.41) SLC6A2SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL5159946 0.77 KIF11 (0.40) PTGS2ALDH1A1MAPTPTGS1SLC6A4
SCHEMBL5160367 0.75 CHRNA7 (0.33) CYP2D6KDM4ECYP1A2ALDH1A1MEN1
SCHEMBL5159838 0.69 TAAR1 (0.36) SLC6A3SLC6A2CYP2D6CYP1A2MEN1
SCHEMBL5158346 0.68 TSHR (0.34) SLC6A3SLC6A2CYP2D6ALDH1A1CYP2C19
SCHEMBL5158203 0.68 GAA (0.35) SLC6A3CYP2D6KDM4EALDH1A1MEN1
SCHEMBL27310296 0.68 PTGS2 (0.39) SLC6A3PTGS2SLC6A2SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL5159700 0.68 TAAR1 (0.35) SLC6A3SLC6A2CYP2D6CYP1A2MEN1
SCHEMBL5160399 0.67 KMT2A (0.35) SLC6A3SMN1; SMN2CYP2D6KDM4EALDH1A1

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 SLC6A3 713/4885PTGS2 891/4885SLC6A2 268/4885

“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.