SCHEMBL13089780

SCHEMBL13089780

CN(C#N)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.51
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 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
SCHEMBL3023627 0.86 HPGD (0.50) GPR119HPGDRECQLEPHX1USP2
SCHEMBL4711418 0.82 HPGD (0.55) GPR119HPGDRECQLEPHX1USP2
SCHEMBL19633473 0.81 HPGD (0.54) GPR119HPGDRECQLEPHX1USP2
SCHEMBL19717593 0.80 HPGD (0.56) GPR119HPGDRECQLEPHX1USP2
SCHEMBL19311891 0.80 HPGD (0.53) GPR119HPGDRECQLEPHX1USP2
SCHEMBL883794 0.80 HPGD (0.53) GPR119HPGDRECQLEPHX1USP2
SCHEMBL311155 0.79 HPGD (0.55) GPR119HPGDRECQLEPHX1USP2
SCHEMBL4719540 0.79 USP30 (0.53) GPR119HPGDRECQLEPHX1MEN1
SCHEMBL1827484 0.78 HPGD (0.51) GPR119HPGDRECQLEPHX1USP2
SCHEMBL2424909 0.78 HPGD (0.48) GPR119HPGDRECQLEPHX1USP2

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-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
US-9221806-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK PATENT GMBH (DE) 2015-12-29 US disclosed
EP-2049531-B1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2014-09-24 EP disclosed
US-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2013-05-23 US disclosed
US-8435981-B2 2-(heterocyclylbenzyl)pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-05-07 US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-10-14 US disclosed
WO-2008017361-A2 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-02-14 WO 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 (2 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-20130131037-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES RET, MET, ERBB2 GPR119 885/4885HPGD 2622/4885RECQL 750/4885
US-20100261697-A1 2-(HETEROCYCLYLBENZYL)PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 GPR119 1154/4885HPGD 2374/4885RECQL 987/4885

“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.