SCHEMBL854306

SCHEMBL854306

CN(CCO)CC(=O)N[C@H]1CC[C@H](NC(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL854305 1.00 MAOA (0.42) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL10132083 0.80 MAOA (0.47) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL880702 0.80 CTSK (0.42) GAAMAPT
SCHEMBL21222619 0.77 ADRA2A (0.41) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL10132042 0.77 MAOA (0.40) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL27666985 0.76 EPHX1 (0.33) MAOAMAPT
SCHEMBL29952336 0.75 LMNA (0.40) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL23573555 0.75 MAOA (0.41) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL23573557 0.75 MAOA (0.41) MAOAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL10132028 0.73 ALDH1A1 (0.40) MAOAGAAMAPTALDH1A1SMN1; SMN2

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 MAOA 2135/4885GAA 3005/4885MAPT 4119/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B MAOA 2135/4885GAA 3005/4885MAPT 4119/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B MAOA 2135/4885GAA 3005/4885MAPT 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.