SCHEMBL1007022

SCHEMBL1007022

CCOC(=O)Cn1nc(C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
TRPM2 O94759 1/20 0.43
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.38
POLQ O75417 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1007338 0.92 TRPM2 (0.45) ADORA1TRPM2LMNATSHRNPSR1
SCHEMBL14487580 0.91 TRPM2 (0.42) ADORA1TRPM2LMNATSHRNPSR1
SCHEMBL1005207 0.87 LMNA (0.56) ADORA1LMNATSHRNPSR1GAA
SCHEMBL1006467 0.87 LMNA (0.47) TRPM2LMNATSHRNPSR1GAA
SCHEMBL17066905 0.87 ADORA1 (0.42) ADORA1LMNATSHRNPSR1GAA
SCHEMBL15730073 0.81 DPP4 (0.47) ADORA1LMNATSHRNPSR1GAA
SCHEMBL17328046 0.80 PREP (0.47) ALOX15SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL14555784 0.79 TRPM2 (0.42) TRPM2LMNATSHRNPSR1GAA
SCHEMBL1006374 0.79 TRPM2 (0.48) TRPM2LMNATSHRNPSR1GAA
SCHEMBL1008205 0.79 LMNA (0.56) ADORA1LMNATSHRNPSR1GAA

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 2 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
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 ADORA1 88/4885TRPM2 451/4885LMNA 4015/4885

“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.