SCHEMBL7879783

SCHEMBL7879783

N#Cc1ccc([C@H]2CNCCO2)cc1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50

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
SCHEMBL136333 1.00 DRD2 (0.50) DRD2DRD3SLC6A3KCNH2TAAR1
Hydrochloric Acid SCHEMBL29564721 0.98
Hydrochloric Acid SCHEMBL966629 0.98
SCHEMBL12610007 0.84
SCHEMBL12610008 0.84
SCHEMBL15111596 0.81
SCHEMBL15111808 0.81
SCHEMBL15111597 0.81
SCHEMBL23472129 0.81 DRD2 (0.64) DRD2DRD3
Hydrochloric Acid SCHEMBL16443901 0.80

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
EP-2193129-B1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2012-10-24 EP disclosed
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-8198437-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 US disclosed
WO-2010104193-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-16 WO disclosed
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-06 US disclosed
EP-2078717-A1 6-Pyrimidinyl-pyrimid-2-one derivative sanofi-aventis (FR) 2009-07-15 EP disclosed
WO-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 WO disclosed
WO-2008078837-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-07-03 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 (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-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 DRD2 3846/4885DRD3 4206/4885SLC6A3 588/4885
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 DRD2 3919/4885DRD3 3373/4885SLC6A3 2067/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 DRD2 3846/4885DRD3 4206/4885SLC6A3 588/4885

“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.