SCHEMBL2850434

SCHEMBL2850434

CC(C)(C)OC(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2N)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SYK P43405 1/20 0.49
STS P08842 1/20 0.49
CNR1 P21554 1/20 0.49
GPR119 Q8TDV5 6/20 0.46
HDAC4 P56524 1/20 0.46
TGFBR1 P36897 1/20 0.45
IDH1 O75874 1/20 0.44
IDH2 P48735 1/20 0.44
HDAC1 Q13547 1/20 0.44
ADORA2A P29274 1/20 0.44
EPHX1 P07099 1/20 0.44
CCR8 P51685 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
SCHEMBL7179421 0.94 HDAC4 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL7179415 0.94 HDAC4 (0.47) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL22588119 0.91 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL13506414 0.88 ALDH1A1 (0.53) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL20570938 0.87 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL11851098 0.87 LMNA (0.55) ALDH1A1MAPTMAPK1HTT
SCHEMBL22724870 0.87 ALDH1A1 (0.56) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL31587222 0.87 ALDH1A1 (0.56) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL27969331 0.86 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3084718 0.85 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113924296-A 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same 株式会社钟根堂 2022-01-11 CN disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 ALDH1A1 148/4885MAPT 3150/4885NPC1 1300/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 ALDH1A1 31/4885MAPT 3522/4885NPC1 902/4885

“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.