SCHEMBL3768027

SCHEMBL3768027

NCC(=O)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.52
GABRA1 P14867 2/20 0.52
TSHR P16473 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
PMP22 Q01453 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
NOS2 P35228 1/20 0.44
POLB P06746 1/20 0.39

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
SCHEMBL3274106 0.86
SCHEMBL31297407 0.82 GABRA5 (0.48) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL2468570 0.82
Hydrochloric Acid SCHEMBL6044490 0.80 GABRP (0.46) GABRA5GABRA1TSHRGABRG2GABRB3
Hydrochloric Acid SCHEMBL20491299 0.79
SCHEMBL31275025 0.79 GABRP (0.45) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL4630580 0.78 GABRA5 (0.54) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL14999328 0.77 GABRP (0.48) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL734214 0.77
SCHEMBL3947564 0.76 GABRA5 (0.52) GABRA5GABRA1TSHRGABRG2GABRB3

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
CN-102827082-A Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-12-19 CN disclosed
CN-1976938-B Thienopyrazole derivatives having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-08-15 CN disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
CN-101679258-A 4-piperidinylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC 2010-03-24 CN disclosed
CN-100390149-C Indazole derivatives KYOWA HAKKO KOGYO KK (JP) 2008-05-28 CN disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
CN-1777590-A Indazole derivatives KYOWA HAKKO KOGYO KK (JP) 2006-05-24 CN 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 GABRA5 307/4885GABRA1 448/4885TSHR 436/4885

“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.