SCHEMBL854472

SCHEMBL854472

O=C(O)NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.45
PDE7A Q13946 6/20 0.44
HRH3 Q9Y5N1 9/20 0.41
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL5921697 0.90 HTR4 (0.38) HTR4PDE7AHRH3ALDH1A1
SCHEMBL17185039 0.90 HTR4 (0.38) HTR4PDE7AHRH3POLBHSD17B10
SCHEMBL5921688 0.90 HTR4 (0.38) HTR4PDE7AHRH3ALDH1A1
SCHEMBL22208127 0.87 POLB (0.46) PDE7AHRH3POLBHSD17B10SIGMAR1
SCHEMBL854179 0.86 PDE7A (0.46) PDE7AHRH3POLBHSD17B10SIGMAR1
SCHEMBL854180 0.86 PDE7A (0.46) PDE7AHRH3POLBHSD17B10SIGMAR1
SCHEMBL30098868 0.84 HTR4 (0.42) HTR4PDE7AHRH3POLBHSD17B10
SCHEMBL2012289 0.84 CD38 (0.38) HTR4PDE7AHRH3POLBHSD17B10
SCHEMBL23573288 0.83 POLB (0.56) HRH3POLBHSD17B10SIGMAR1
SCHEMBL3369574 0.83 POLB (0.51) HRH3POLBHSD17B10SIGMAR1

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 HTR4 973/4885PDE7A 1/4885HRH3 33/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HTR4 973/4885PDE7A 1/4885HRH3 33/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HTR4 973/4885PDE7A 1/4885HRH3 33/4885

“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.