SCHEMBL1008100

SCHEMBL1008100

Cc1ccc(C2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
LMNA P02545 3/20 0.52
KCNJ2 P63252 1/20 0.52
ALOX15 P16050 1/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 1/20 0.51
POLQ O75417 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 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
SCHEMBL23780144 0.74 ALDH1A1 (0.40) MAPTALOX15TSHRNPSR1CYP2C19
SCHEMBL10291788 0.73 CCR1 (0.72) CYP2C19
SCHEMBL12666724 0.72 MAPT (0.62) MAPTLMNATSHRNPSR1GAA
SCHEMBL12379943 0.71 LMNA (0.76) MAPTLMNATSHRNPSR1GAA
SCHEMBL1008435 0.70 LMNA (1.00) MAPTLMNATSHRNPSR1GAA
SCHEMBL31109342 0.69 ALOX15 (0.39) MAPTLMNAALOX15TP53
SCHEMBL23780091 0.69 ALOX15 (0.39) MAPTLMNAALOX15TP53
SCHEMBL15708803 0.69 LMNA (1.00) MAPTLMNATSHRNPSR1GAA
SCHEMBL20371480 0.69 LMNA (1.00) MAPTLMNATSHRNPSR1GAA
SCHEMBL14487346 0.69 LMNA (0.67) MAPTLMNATSHRNPSR1GAA

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 MAPT 4623/4885LMNA 4015/4885KCNJ2 200/4885

“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.