SCHEMBL17035282

SCHEMBL17035282

CC1CC(=O)N(c2cccc(Cl)n2)N1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.46
▸ HTR3E A5X5Y0 3/20 0.45
▸ HTR3B O95264 3/20 0.45
▸ HTR3A P46098 3/20 0.45
▸ HTR3D Q70Z44 3/20 0.45
▸ HTR3C Q8WXA8 3/20 0.45
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ XPO1 O14980 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CHRM4 P08173 2/20 0.32

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
SCHEMBL28312403 0.69 ALDH1A1 (0.40) ALOX5KMT2ATSHRALDH1A1MAPT
SCHEMBL28091527 0.68 HTR3E (0.42) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL10846913 0.66 HTR3E (0.44) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL3536632 0.64 KMT2A (0.71) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL18334526 0.64 PDCD1 (0.59) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL9809106 0.64 HTR3E (0.38) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL2383995 0.63 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29364707 0.63 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL26685500 0.63 CNR2 (0.49) ALOX5HTR3EHTR3BHTR3AHTR3D
SCHEMBL7305625 0.62 HTR3E (0.52) ALOX5HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 — — EP disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 — — 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL ALOX5 4534/4885HTR3E 3681/4885HTR3B 3713/4885

“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.

Send feedback