SCHEMBL854004

SCHEMBL854004

O=C(NC1CCC(N2CCN(C(=O)O)CC2)CC1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.59
DPP4 P27487 7/20 0.57
DPP7 Q9UHL4 7/20 0.57
KCNH2 Q12809 4/20 0.57
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
EPHX1 P07099 1/20 0.53
HSD11B1 P28845 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
TGM1 P22735 1/20 0.46

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
SCHEMBL31334638 0.91 ALDH1A1 (0.58) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL1870932 0.87 ALDH1A1 (0.67) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL16604750 0.87 ALDH1A1 (0.63) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL16604745 0.87 ALDH1A1 (0.63) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL12395399 0.86 ALDH1A1 (0.54) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL21071280 0.86 ALDH1A1 (0.54) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15873777 0.85 ALDH1A1 (0.60) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL15873821 0.85 ALDH1A1 (0.60) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL17209369 0.84 ALDH1A1 (0.59) ALDH1A1GAATSHRDPP4DPP7
SCHEMBL3948461 0.83 ALDH1A1 (0.85) ALDH1A1GAATSHRDPP4DPP7

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 ALDH1A1 2864/4885GAA 3005/4885TSHR 389/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885GAA 3005/4885TSHR 389/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885GAA 3005/4885TSHR 389/4885

“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.