SCHEMBL4723352

SCHEMBL4723352

CCOC(=O)CC/C=C/c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ABCB1 P08183 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP2C19 P33261 1/20 0.48
GPR119 Q8TDV5 3/20 0.47
NAMPT P43490 1/20 0.47
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
ESRRB O95718 1/20 0.43
ESR1 P03372 1/20 0.43
ESRRA P11474 1/20 0.43
ESRRG P62508 1/20 0.43

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
SCHEMBL4723356 1.00 MAPT (0.50) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL4719112 0.84 ABCB1 (0.56) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL4719115 0.84 ABCB1 (0.56) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL8661802 0.82 NPSR1 (0.51) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL8325276 0.82 NPSR1 (0.51) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL14711349 0.80 SMN1; SMN2 (0.58) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL22119712 0.80 MAPT (0.53) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL3383182 0.79 SMN1; SMN2 (0.53) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL12814098 0.78 NPSR1 (0.55) MAPTLMNAALDH1A1GAAKDM4E
SCHEMBL5573222 0.77 MAPT (0.76) MAPTLMNAALDH1A1GAAKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 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-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MAPT 4798/4885LMNA 3464/4885ALDH1A1 77/4885

“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.