SCHEMBL1897449

SCHEMBL1897449

O=C(c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 3/20 0.61
CYP2D6 P10635 1/20 0.61
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL1007194 0.88 ALDH1A1 (0.56) GRIA2ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1009404 0.85 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2MEN1KMT2A
SCHEMBL1007672 0.84 GRIA2 (0.61) GRIA2CYP2D6ALDH1A1HTTSMN1; SMN2
SCHEMBL1893597 0.83 MAPT (0.51) CYP2D6HRH3ALDH1A1HTTSMN1; SMN2
SCHEMBL3134055 0.83 GRIA2 (0.69) GRIA2CYP2D6ALDH1A1HTTLMNA
SCHEMBL1007390 0.82 GRIA2 (0.49) GRIA2CYP2D6HRH3ALDH1A1HTT
SCHEMBL1897503 0.82 CYP1A2 (0.51) CYP2D6ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1007223 0.81 MAPT (0.53) ALDH1A1HTTSMN1; SMN2LMNATSHR
SCHEMBL1009492 0.80 MAPT (0.50) CYP2D6ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL1894551 0.79 SMN1; SMN2 (0.56) GRIA2CYP2D6ALDH1A1HTTSMN1; SMN2

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 5 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
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 3476/4885HRH3 254/4885

“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.