SCHEMBL2909839

SCHEMBL2909839

CC1(C)CN(Cc2ccccc2)Cc2c(Cl)cc(=O)[nH]c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
PNMT P11086 1/20 0.40
CLPP Q16740 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL2913569 0.79 GAA (0.48) GAATSHRHTTSIGMAR1SLC6A5
SCHEMBL30570560 0.74 ACHE (0.61) GAAHTTALDH1A1USP2KDM4E
SCHEMBL21621772 0.74 ACHE (0.61) GAAHTTALDH1A1USP2KDM4E
SCHEMBL3062076 0.70 LMNA (0.44) GAATSHRALDH1A1KDM4ELMNA
SCHEMBL1174136 0.66 GAA (0.48) GAATSHRHTTSIGMAR1ALDH1A1
SCHEMBL13090067 0.66 GAA (0.41) GAATSHRSIGMAR1ALDH1A1USP2
SCHEMBL17984233 0.65 ACHE (0.60) CLPPSLC6A5ALDH1A1KDM4EDRD2
SCHEMBL653269 0.65 GAA (0.57) GAATSHRSIGMAR1LMNAACHE
SCHEMBL29598556 0.64 GAA (0.61) GAATSHRHTTSIGMAR1ALDH1A1
SCHEMBL3006044 0.64 ACHE (0.53) GAAHTTALDH1A1KDM4ELMNA

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 4765/4885TSHR 2907/4885HTT 4038/4885

“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.