SCHEMBL4264891

SCHEMBL4264891

CC(C)CCOc1cc(N)nc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
HRH4 Q9H3N8 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
MCHR1 Q99705 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
LTB4R Q15722 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL13952547 0.83 XDH (0.51) TLR8MEN1KMT2AADORA2AADORA1
SCHEMBL4264922 0.81 NPC1 (0.59) TLR8MEN1KMT2AADORA2AADORA1
SCHEMBL4262285 0.80 MCL1 (0.49) MAPK1LTB4R
SCHEMBL4264916 0.77 XDH (0.46) TLR8MEN1KMT2ANPC1RAB9A
SCHEMBL4267571 0.77 P2RY12 (0.45) MAPK1LTB4R
SCHEMBL4267602 0.77 ADORA1 (0.49) ADORA2AADORA1MAPK1LTB4R
SCHEMBL4259992 0.77 XDH (0.56) MEN1KMT2AADORA2AADORA1RAB9A
Methylamine SCHEMBL28044371 0.71 TDP1 (0.66) TDP1ALDH1A1MAPK1LMNA
SCHEMBL195569 0.71 TDP1 (0.64) TDP1ALDH1A1MAPK1LMNA
SCHEMBL14802124 0.70 LTA4H (0.53) TLR8NPC1RAB9AALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP 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-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 TLR8 4300/4885TDP1 4226/4885HRH4 312/4885

“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.