SCHEMBL853823

SCHEMBL853823

O=C(O)N1CCC(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.58
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
DPP4 P27487 1/20 0.47
FAAH O00519 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.46
TRPV6 Q9H1D0 1/20 0.45
HSD11B1 P28845 1/20 0.45
MGLL Q99685 1/20 0.45
ESRRG P62508 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4184580 0.86 ALDH1A1 (0.58) SLC18A3ALDH1A1MAPTHPGDDPP4
SCHEMBL15524433 0.84 SLC18A3 (0.50) SLC18A3ALDH1A1FAAHGAALMNA
SCHEMBL21526510 0.84 SLC18A3 (0.54) SLC18A3ALDH1A1MAPTHPGDDPP4
SCHEMBL1476579 0.82 SLC18A3 (0.53) SLC18A3ALDH1A1MAPTHPGDDPP4
SCHEMBL31488955 0.81 NAMPT (0.54) SLC18A3ALDH1A1MAPTHPGDDPP4
SCHEMBL520243 0.81 ALDH1A1 (0.55) SLC18A3ALDH1A1MAPTHPGDFAAH
SCHEMBL5781189 0.79 SLC18A3 (0.56) SLC18A3ALDH1A1MAPTHTTGAA
SCHEMBL520922 0.79 KMT2A (0.53) SLC18A3ALDH1A1MAPTHPGDDPP4
SCHEMBL4736392 0.79 MAPT (0.65) SLC18A3ALDH1A1MAPTFAAHLMNA
SCHEMBL15911925 0.79 SLC18A3 (0.57) SLC18A3ALDH1A1MAPTGAALMNA

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
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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 (3 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B SLC18A3 3273/4885ALDH1A1 2864/4885MAPT 4119/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B SLC18A3 3273/4885ALDH1A1 2864/4885MAPT 4119/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B SLC18A3 3273/4885ALDH1A1 2864/4885MAPT 4119/4885

“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.