SCHEMBL1006785

SCHEMBL1006785

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCc2ccccc21

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ2 P63252 1/20 0.90
ALOX15 P16050 1/20 0.58
LMNA P02545 5/20 0.57
POLQ O75417 1/20 0.56
TSHR P16473 3/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
POLB P06746 3/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL30367110 0.95 KCNJ2 (1.00) KCNJ2ALOX15LMNAPOLQTSHR
SCHEMBL20142742 0.95 KCNJ2 (1.00) KCNJ2ALOX15LMNAPOLQTSHR
SCHEMBL15485012 0.75 KCNJ2 (0.65) KCNJ2ALOX15LMNAPOLQTSHR
SCHEMBL1008435 0.74 LMNA (1.00) LMNAPOLQTSHRGAANPSR1
SCHEMBL15484885 0.73 KCNJ2 (0.62) KCNJ2ALOX15LMNATSHRGAA
SCHEMBL20371480 0.72 LMNA (1.00) LMNAPOLQTSHRGAANPSR1
SCHEMBL15708803 0.72 LMNA (1.00) LMNAPOLQTSHRGAANPSR1
SCHEMBL12379943 0.72 LMNA (0.76) LMNAPOLQTSHRGAANPSR1
SCHEMBL1006933 0.72 LMNA (0.57) KCNJ2ALOX15LMNAPOLQTSHR
SCHEMBL12666973 0.72 KCNJ2 (0.55) KCNJ2ALOX15LMNAPOLQTSHR

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 KCNJ2 200/4885ALOX15 3682/4885LMNA 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.