SCHEMBL5160399

SCHEMBL5160399

CN(C)C(C1=C(C2CCCCC2)CCCC1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 1/20 0.34
IDO1 P14902 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
CYP2D6 P10635 1/20 0.32
EPHX1 P07099 2/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL5158203 0.98 GAA (0.35) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL5158192 0.72 PTGS2 (0.36) KMT2AMEN1KDM4EALDH1A1CYP2D6
SCHEMBL5160367 0.68 CHRNA7 (0.33) KMT2AMEN1KDM4EALDH1A1TSHR
SCHEMBL5158247 0.68 SIGMAR1 (0.36) TSHRCYP2D6SLC6A4SLC6A3
SCHEMBL28721926 0.67 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL5159848 0.67 MEN1 (0.39) KMT2AMEN1TSHRSLC6A4SLC6A3
SCHEMBL674996 0.67 CHRNA7 (0.59) KMT2AMEN1KDM4EALDH1A1LMNA
SCHEMBL14772603 0.66 ROCK2 (0.33) KMT2AMEN1GAAL3MBTL1IDO1
SCHEMBL5160256 0.66 SIGMAR1 (0.38) HTR2ASLC6A4OPRM1SLC6A3
SCHEMBL5158439 0.65 CHRNB4 (0.41) KMT2AMEN1ALDH1A1HPGDTSHR

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 KMT2A 2909/4885MEN1 1165/4885KDM4E 1611/4885

“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.