SCHEMBL2913569

SCHEMBL2913569

CC1(C)CN(Cc2ccccc2)Cc2ccc(=O)[nH]c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 3/20 0.39
MC4R P32245 1/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 1/20 0.38
ELANE P08246 1/20 0.38
HTT P42858 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
ACHE P22303 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL13090067 0.84 GAA (0.41) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL2909839 0.79 GAA (0.45) GAAMEN1KMT2ATSHRCYP2D6
SCHEMBL1015636 0.71 SLC6A5 (0.54) MEN1KMT2ASLC6A5SIGMAR1ACHE
SCHEMBL2913069 0.70 GAA (0.47) GAAMEN1KMT2ATSHRMC4R
SCHEMBL3387772 0.69 SLC6A5 (0.58) GAASLC6A5SIGMAR1ACHEDRD4
SCHEMBL653269 0.67 GAA (0.57) GAAMEN1KMT2ATSHRMC4R
SCHEMBL29598556 0.67 GAA (0.61) GAAMEN1KMT2ATSHRMC4R
SCHEMBL30570560 0.67 ACHE (0.61) GAAKMT2AHTTALDH1A1HIF1A
SCHEMBL21621772 0.67 ACHE (0.61) GAAKMT2AHTTALDH1A1HIF1A
SCHEMBL3006044 0.67 ACHE (0.53) GAAMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C GAA 4765/4885MEN1 4418/4885KMT2A 3157/4885

“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.