SCHEMBL82653

SCHEMBL82653

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 3/20 0.39
OPRK1 P41145 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.39
NPY5R Q15761 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL497268 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL82791 0.88 GRIN1 (0.48) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL82792 0.88 GRIN1 (0.48) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL5506542 0.88 GRIN1 (0.48) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL5538246 0.88 GRIN1 (0.48) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL81946 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL3805223 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRHTTLMNA
SCHEMBL83032 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRLMNAMAPT
SCHEMBL497266 0.82 MOGAT2 (0.39) ALDH1A1SMN1; SMN2TSHRLMNACYP2D6
SCHEMBL27684474 0.79 ALDH1A1 (0.43) ALDH1A1TSHRLMNACYP2D6L3MBTL1

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 9 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-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 3276/4885SMN1; SMN2 25/4885TSHR 4516/4885
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 ALDH1A1 1955/4885SMN1; SMN2 674/4885TSHR 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.