SCHEMBL13629461

SCHEMBL13629461

N[C@@H](C=O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.50
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 1/20 0.45
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
MAOB P27338 1/20 0.44
HTR2A P28223 1/20 0.44
FDFT1 P37268 2/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8895432 1.00 GRIK1 (0.50) GRIK1SIGMAR1MAOAANPEPERAP1
SCHEMBL8896138 1.00 GRIK1 (0.50) GRIK1SIGMAR1MAOAANPEPERAP1
SCHEMBL27527666 0.94 S1PR2 (0.50) GRIK1SIGMAR1MAOAANPEPERAP1
SCHEMBL1029067 0.88 ANPEP (0.52) GRIK1ANPEPERAP1ERAP2HTR2A
SCHEMBL8007380 0.88 ANPEP (0.52) GRIK1ANPEPERAP1ERAP2HTR2A
SCHEMBL3391050 0.88 ANPEP (0.52) GRIK1ANPEPERAP1ERAP2HTR2A
SCHEMBL1274321 0.81 GRIK1 (0.50) GRIK1SIGMAR1MAOAANPEPERAP1
SCHEMBL9819985 0.80 SIGMAR1 (0.48) GRIK1SIGMAR1MAOAKCNH2
SCHEMBL3266047 0.77 S1PR2 (0.59) GRIK1SIGMAR1MAOAANPEPERAP1
SCHEMBL5789705 0.77 MAOA (0.54) GRIK1SIGMAR1MAOAANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612239-B2 Method for asymmetric alkynylation of alpha-imino esters THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2009-11-03 US disclosed
US-20080183010-A1 Method For Asymmetric Alkynylation Of Al Pha-Imino Esters THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2008-07-31 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-20080183010-A1 Method For Asymmetric Alkynylation Of Al Pha-Imino Esters ALKBH3, CYP8B1, ALKBH1 GRIK1 3934/4885SIGMAR1 1159/4885MAOA 797/4885

“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.