SCHEMBL1007398

SCHEMBL1007398

COCCN(C)C(=O)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 2/20 0.51
CYP2D6 P10635 2/20 0.49
POLQ O75417 1/20 0.48
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 4/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 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
SCHEMBL1007660 0.87 GRIA2 (0.57) GRIA2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL1006841 0.83 POLB (0.51) GRIA2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL1007201 0.83 POLB (0.56) GRIA2CYP2C19POLBPOLQMAPT
SCHEMBL1006269 0.83 GRIA2 (0.55) GRIA2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL1007152 0.82 POLB (0.54) GRIA2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL1009106 0.82 GRIA2 (0.54) GRIA2CYP2C19POLBPOLQMAPT
SCHEMBL1007029 0.81 LMNA (0.56) GRIA2CYP2C9CYP2C19POLBCYP2D6
SCHEMBL1891273 0.78 SMN1; SMN2 (0.56) CYP2C19MAPTSMN1; SMN2TSHRGAA
SCHEMBL3137412 0.78 GRIA2 (0.77) GRIA2CYP2C9CYP2C19CYP2D6GAA
SCHEMBL1895722 0.78 MAPT (0.56) CYP2C19MAPTSMN1; SMN2TSHRGAA

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 GRIA2 23/4885CYP2C9 3482/4885CYP2C19 3268/4885

“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.