SCHEMBL5157968

SCHEMBL5157968

Cc1cc(C2=C(C(c3ccccc3)N(C)C)CCCC2)ccc1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRK1 P41145 1/20 0.32
PTGS2 P35354 1/20 0.31
DAPK3 O43293 1/20 0.30
NTRK1 P04629 1/20 0.30
PIM1 P11309 1/20 0.30
FLT3 P36888 1/20 0.30
GSK3B P49841 1/20 0.30
ROCK1 Q13464 1/20 0.30
CLK4 Q9HAZ1 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 0.83 MEN1 (0.39) MEN1KMT2APTGS2
SCHEMBL5158192 0.81 PTGS2 (0.36) MEN1KMT2APTGS2
SCHEMBL5158439 0.81 CHRNB4 (0.41) MEN1KMT2AOPRK1
SCHEMBL5160157 0.80 SLC6A3 (0.38) MEN1KMT2APTGS2
SCHEMBL5160367 0.76 CHRNA7 (0.33) MEN1KMT2ACLK4
SCHEMBL5159946 0.72 KIF11 (0.40) OPRK1PTGS2
SCHEMBL5159622 0.67 MEN1 (0.36) MEN1KMT2A
SCHEMBL5160356 0.66 MEN1 (0.34) MEN1KMT2A
SCHEMBL5161115 0.65 TDP1 (0.40) MEN1KMT2A
SCHEMBL5160234 0.64 MEN1 (0.43) MEN1KMT2A

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 7 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-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
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 MEN1 1165/4885KMT2A 2909/4885OPRK1 91/4885

“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.