SCHEMBL1745496

SCHEMBL1745496

CCCNc1nc(-c2ccccc2)c(C)s1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 12/20 0.58
MAOB P27338 12/20 0.58
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALOX5 P09917 1/20 0.54
MAPK1 P28482 1/20 0.52
GSTO1 P78417 1/20 0.51
XIAP P98170 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL27834214 0.91 MAOA (0.60) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL8066329 0.85 ALDH1A1 (0.56) MAOAMAOBALDH1A1HSD17B10CYP1A2
Bromide SCHEMBL11366637 0.84 ALDH1A1 (0.55) MAOAMAOBALDH1A1HSD17B10CYP1A2
Hydrochloric Acid SCHEMBL9255930 0.82 MAOA (0.50) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL27642190 0.81 ALOX5 (0.51) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL1099004 0.81 ALDH1A1 (0.50) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL5360082 0.80 ALOX5 (0.56) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL1745085 0.78 MAOA (0.62) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL25327043 0.77 MAOA (0.60) MAOAMAOBALDH1A1HSD17B10CYP1A2
SCHEMBL27852308 0.76 PTGS2 (0.59) ALDH1A1MAPTMEN1KMT2AXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 US disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 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-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR MAOA 4245/4885MAOB 4303/4885ALDH1A1 4258/4885

“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.