SCHEMBL83427

SCHEMBL83427

C[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(C(=O)O)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LTA4H P09960 3/20 0.43
CYP2D6 P10635 1/20 0.42
OPRD1 P41143 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.40
BRD4 O60885 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MOGAT2 Q3SYC2 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
SCHEMBL27684474 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL2119158 0.89 LTA4H (0.49) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL1136443 0.87 HPGD (0.49) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL81951 0.87 HPGD (0.49) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL497504 0.84 CHRM4 (0.46) ALDH1A1OPRD1GAAMEN1KMT2A
SCHEMBL5512125 0.84 CHRM4 (0.46) ALDH1A1OPRD1GAAMEN1KMT2A
SCHEMBL27684469 0.84 CHRM4 (0.46) ALDH1A1OPRD1GAAMEN1KMT2A
SCHEMBL135968 0.84 LTA4H (0.39) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL135969 0.84 LTA4H (0.39) ALDH1A1CYP3A4TSHRCYP2C19LTA4H
SCHEMBL102399 0.84 LTA4H (0.39) ALDH1A1CYP3A4TSHRCYP2C19LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-8106045-B2 2-morpholino-4-pyrimidone compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-31 US disclosed
EP-1805164-B9 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-07 EP disclosed
EP-1805164-B1 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-02-23 EP disclosed
EP-2266969-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed
EP-2266979-A1 2-morpholino-4-pyrimidone compounds Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed
EP-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed
EP-2257599-A1 NETWORKS CONTAINING PERFLUOROCARBON ORGANOSILICON HYPERBRANCHED POLYMERS Michigan Molecular Institute (US) 2010-12-08 EP disclosed
EP-2258701-A1 2-morpholino-4-pyrimidone compound Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-08 EP disclosed
WO-2009120309-A9 NETWORKS CONTAINING PERFLUOROCARBON ORGANOSILICON HYPERBRANCHED POLYMERS MICHIGAN MOLECULAR INSTITUTE (US) 2009-11-19 WO disclosed
WO-2009120309-A1 NETWORKS CONTAINING PERFLUOROCARBON ORGANOSILICON HYPERBRANCHED POLYMERS MICHIGAN MOLECULAR INSTITUTE (US) 2009-10-01 WO disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US disclosed
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 US disclosed
CN-101035781-A 2-morpholino-4-pyrimidone compound MITSUBISHI PHARMA CORP (JP) 2007-09-12 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 (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-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MAPT, PSEN1, PSEN2 ALDH1A1 3276/4885CYP3A4 4380/4885TSHR 4516/4885
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 ALDH1A1 1955/4885CYP3A4 2150/4885TSHR 2393/4885

“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.