SCHEMBL82792

SCHEMBL82792

C[C@H](c1ccccc1)N1CCOC(c2ccc(NC(=O)CCl)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.41
TSHR P16473 1/20 0.41
MOGAT2 Q3SYC2 1/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RNF4 P78317 1/20 0.39
POLB P06746 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL5506542 1.00 GRIN1 (0.48) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL82791 1.00 GRIN1 (0.48) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL5538246 1.00 GRIN1 (0.48) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL497268 0.90 ALDH1A1 (0.41) GRIN1GRIN2BALDH1A1SMN1; SMN2LMNA
SCHEMBL82653 0.88 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL81946 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL3805223 0.87 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL83032 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTTSHR
SCHEMBL497266 0.82 MOGAT2 (0.39) ALDH1A1SMN1; SMN2LMNATSHRMOGAT2
SCHEMBL27684474 0.80 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ATSHRMOGAT2

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 6 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
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-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US 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-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 GRIN1 717/4885GRIN2B 2126/4885ALDH1A1 1955/4885

“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.