SCHEMBL81946

SCHEMBL81946

CC(=O)Nc1ccc([C@H]2CN([C@H](C)c3ccccc3)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LTA4H P09960 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3805223 1.00 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EGAATDP1
SCHEMBL83032 0.88 ALDH1A1 (0.42) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL82791 0.87 GRIN1 (0.48) ALDH1A1MAPTKDM4ETSHRPOLB
SCHEMBL5538246 0.87 GRIN1 (0.48) ALDH1A1MAPTKDM4ETSHRPOLB
SCHEMBL5506542 0.87 GRIN1 (0.48) ALDH1A1MAPTKDM4ETSHRPOLB
SCHEMBL82792 0.87 GRIN1 (0.48) ALDH1A1MAPTKDM4ETSHRPOLB
SCHEMBL497268 0.87 ALDH1A1 (0.41) ALDH1A1MAPTTSHRPOLBLMNA
SCHEMBL82653 0.86 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETSHRLMNA
SCHEMBL27684474 0.84 ALDH1A1 (0.43) ALDH1A1GAATSHRLMNALTA4H
SCHEMBL83427 0.84 ALDH1A1 (0.43) ALDH1A1GAATSHRLMNALTA4H

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-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-2258701-A1 2-morpholino-4-pyrimidone compound Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-08 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
US-20090124618-A1 2-MORPHOLINO-4-PYRIMIDONE COMPOUND MITSUBISHI PHARMA CORPORATION (JP) 2009-05-14 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 (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 3276/4885MAPT 1/4885KDM4E 2007/4885
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 ALDH1A1 1955/4885MAPT 1/4885KDM4E 2353/4885

“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.