SCHEMBL1144334

SCHEMBL1144334

CC(C)[C@](N)(CC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP2D6 P10635 2/20 0.55
CYP1A2 P05177 2/20 0.55
KIF11 P52732 9/20 0.44
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
OPRM1 P35372 2/20 0.37

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
SCHEMBL1144629 1.00 CYP2C19 (0.58) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL27945023 0.79 CYP2D6 (0.45) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL10451738 0.79 CYP2C19 (0.46) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL27582400 0.78 CYP2C19 (0.43) CYP2C19HIF1ACYP2D6CYP1A2KDM4E
SCHEMBL6464047 0.76 CYP2C9 (0.43) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL637562 0.76 HIF1A (0.59) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL27477585 0.75 CYP2C19 (0.50) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL167044 0.75 CYP2C19 (0.64) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL2295046 0.75 CYP2C19 (0.64) CYP2C19HIF1ACYP2D6CYP1A2KIF11
SCHEMBL2300536 0.75 CYP2C19 (0.64) CYP2C19HIF1ACYP2D6CYP1A2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386901-B1 Method for producing an optically active beta-amino acid TAKASAGO PERFUMERY CO LTD (JP) 2015-07-01 EP disclosed
US-7893296-B2 Method for producing an optically active β-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-22 US disclosed
US-20060122418-A1 Method for producing an optically active beta-amino acid MATSUMURA KAZUHIKO 2006-06-08 US disclosed
US-20040023344-A1 Method for producing an optically activ beta-amino acid TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-02-05 US disclosed
EP-1386901-A1 Method for producing an optically active beta-amino acid Takasago International Corporation (JP) 2004-02-04 EP 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-20060122418-A1 Method for producing an optically active beta-amino acid AADAT, DAO, BCAT2 CYP2C19 563/4885HIF1A 926/4885CYP2D6 708/4885

“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.