SCHEMBL1006154

SCHEMBL1006154

CN(C)CC(NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
POLB P06746 4/20 0.44
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.41
GRIA2 P42262 1/20 0.41
PTGER4 P35408 2/20 0.41
LMNA P02545 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL1893597 0.86 MAPT (0.51) POLBTSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1008036 0.82 POLQ (0.48) POLQPOLBTSHRSMN1; SMN2GAA
SCHEMBL1007223 0.82 MAPT (0.53) POLQPOLBTSHRSMN1; SMN2GAA
SCHEMBL1008311 0.81 POLQ (0.61) POLQPOLBTSHRSMN1; SMN2GAA
SCHEMBL1008084 0.80 POLQ (0.52) POLQPOLBTSHRSMN1; SMN2GAA
SCHEMBL1007672 0.80 GRIA2 (0.61) POLQPOLBTSHRSMN1; SMN2GAA
SCHEMBL1007194 0.79 ALDH1A1 (0.56) POLQTSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1009404 0.79 SMN1; SMN2 (0.55) POLBTSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1009492 0.78 MAPT (0.50) POLBTSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1897503 0.77 CYP1A2 (0.51) TSHRSMN1; SMN2GAAHSD17B10MAPT

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 3571/4885TSHR 134/4885

“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.