SCHEMBL1007440

SCHEMBL1007440

O=C(c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 3/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 5/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.47
KCNJ2 P63252 1/20 0.47
POLQ O75417 1/20 0.47

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
SCHEMBL1007499 0.92 IDO1 (0.49) GRIA2CYP2D6MAPTLMNATP53
SCHEMBL3134055 0.88 GRIA2 (0.69) GRIA2CYP2D6MAPTCYP2C9LMNA
SCHEMBL1007029 0.87 LMNA (0.56) GRIA2CYP2D6MAPTCYP2C9LMNA
SCHEMBL8006926 0.87 PARP1 (0.56) MAPTLMNATSHRPOLBHPGD
SCHEMBL1007411 0.87 POLQ (0.48) GRIA2CYP2D6MAPTCYP2C9LMNA
SCHEMBL1007201 0.84 POLB (0.56) GRIA2MAPTLMNATP53TSHR
SCHEMBL1007660 0.84 GRIA2 (0.57) GRIA2CYP2D6MAPTCYP2C9LMNA
SCHEMBL1006841 0.82 POLB (0.51) GRIA2CYP2D6MAPTCYP2C9LMNA
SCHEMBL1009106 0.82 GRIA2 (0.54) GRIA2MAPTLMNATP53TSHR
SCHEMBL1006269 0.81 GRIA2 (0.55) GRIA2CYP2D6MAPTCYP2C9LMNA

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 23/4885CYP2D6 3476/4885MAPT 4623/4885

“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.