SCHEMBL101781

SCHEMBL101781

Cc1nc(-c2ccc([C@H]3CNCCO3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
TAAR1 Q96RJ0 1/20 0.49

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
Hydrochloric Acid SCHEMBL136661 0.99 MAOA (0.50) MAOAMAOBTAAR1
SCHEMBL2602806 0.88 MAOA (0.50) MAOAMAOBTAAR1
Hydrochloric Acid SCHEMBL537394 0.87 MAOA (0.49) MAOAMAOBTAAR1
SCHEMBL135495 0.86 CA12 (0.45) TAAR1
SCHEMBL23711244 0.81 HDAC4 (0.53)
SCHEMBL8061783 0.80 ACHE (0.48) TAAR1
Hydrochloric Acid SCHEMBL917850 0.79 ACHE (0.47) TAAR1
SCHEMBL9906431 0.78 MAOA (0.47) MAOAMAOB
SCHEMBL101505 0.76 MAOA (0.45) MAOAMAOB
Hydrochloric Acid SCHEMBL82167 0.76 MAOA (0.48) MAOAMAOB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-8518939-B2 6-pyrimidinyl-pyrimid-4-one derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-27 US disclosed
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
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-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE SANOFI-AVENTIS (FR) 2012-10-04 US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
US-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 US disclosed
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-27 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
EP-2193129-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-06-09 EP 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
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-2009035162-A1 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-19 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 (5 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 MAOA 72/4885MAOB 117/4885TAAR1 1511/4885
US-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 MAOA 403/4885MAOB 554/4885TAAR1 621/4885
US-20120252812-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 MAOA 1180/4885MAOB 1591/4885TAAR1 1919/4885
US-20100113775-A1 2-SUBSTITUTED-6-HETEROCYCLIC PYRIMIDONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, TTBK2 MAOA 966/4885MAOB 1104/4885TAAR1 1289/4885
US-20110021773-A1 6-PYRIMIDINYL-PYRIMID-4-ONE DERIVATIVE MAPT, PSEN1, PSEN2 MAOA 1180/4885MAOB 1591/4885TAAR1 1919/4885

“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.