SCHEMBL1008084

SCHEMBL1008084

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)NC(CN(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.52
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 3/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1898637 0.87 POLQ (0.52) POLQPOLBALDH1A1HTTLMNA
SCHEMBL1008311 0.85 POLQ (0.61) POLQPOLBLMNATSHRGAA
SCHEMBL1007548 0.82 MAPT (0.56) POLQPOLBALDH1A1HTTLMNA
SCHEMBL1006154 0.80 POLQ (0.47) POLQPOLBALDH1A1HTTLMNA
SCHEMBL1891758 0.78 POLB (0.56) POLQPOLBALDH1A1HTTTSHR
SCHEMBL1008036 0.78 POLQ (0.48) POLQPOLBLMNATSHRGAA
SCHEMBL1896832 0.78 POLB (0.55) POLQPOLBALDH1A1HTTLMNA
SCHEMBL1893424 0.77 ALDH1A1 (0.45) POLQPOLBALDH1A1HTTLMNA
SCHEMBL1009850 0.77 POLQ (0.47) POLQPOLBALDH1A1LMNATSHR
SCHEMBL1008050 0.77 POLB (0.52) POLQPOLBALDH1A1LMNATSHR

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 6 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
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 POLQ 3429/4885POLB 3571/4885ALDH1A1 614/4885

“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.