SCHEMBL1006841

SCHEMBL1006841

CCN(CC)C(=O)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
MAPT P10636 6/20 0.51
POLQ O75417 1/20 0.50
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 4/20 0.47
GRIA2 P42262 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CYP2D6 P10635 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL1007660 0.90 GRIA2 (0.57) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1006269 0.87 GRIA2 (0.55) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1007029 0.86 LMNA (0.56) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1007201 0.84 POLB (0.56) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1007662 0.83 POLQ (0.47) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1007398 0.83 GRIA2 (0.53) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1009106 0.82 GRIA2 (0.54) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1007440 0.82 GRIA2 (0.57) POLBMAPTPOLQLMNAGRIA2
SCHEMBL1006093 0.80 MAPT (0.57) POLBMAPTPOLQCYP2C19CYP1A2
SCHEMBL1893494 0.79 POLB (0.54) POLBMAPTCYP2C19CYP1A2CYP3A4

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
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 POLB 3571/4885MAPT 4623/4885POLQ 3429/4885

“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.