SCHEMBL83032

SCHEMBL83032

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
LTA4H P09960 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 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
SCHEMBL81946 0.88 ALDH1A1 (0.45) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL3805223 0.88 ALDH1A1 (0.45) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL497268 0.84 ALDH1A1 (0.41) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL5506542 0.84 GRIN1 (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL5538246 0.84 GRIN1 (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL82792 0.84 GRIN1 (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL82791 0.84 GRIN1 (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL82653 0.83 ALDH1A1 (0.40) ALDH1A1TSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL27684474 0.81 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4LMNAL3MBTL1
SCHEMBL83427 0.81 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4LMNAL3MBTL1

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 ALDH1A1 1955/4885TSHR 2393/4885CYP3A4 2150/4885

“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.