SCHEMBL4522024

SCHEMBL4522024

C=CCCC(=O)N[C@@H](Cc1cnc2ccccc2n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
PIN1 Q13526 3/20 0.43
NTSR1 P30989 1/20 0.39
PDE10A Q9Y233 1/20 0.38
FAAH O00519 3/20 0.38
JAK3 P52333 1/20 0.38
ACE P12821 2/20 0.37
NPC1 O15118 1/20 0.37
CASP1 P29466 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4523137 0.79 CYP1A2 (0.52) GRNSORT1CYP1A2CYP2C9HIF1A
SCHEMBL16892796 0.78 ACE (0.58) FAAHACE
SCHEMBL3658568 0.74 HRH4 (0.53) PIN1ACEALDH1A1
SCHEMBL14265381 0.74 PTPN1 (0.54) GRNSORT1CYP1A2CYP2C9HIF1A
SCHEMBL4534450 0.74 PTPN1 (0.54) GRNSORT1CYP1A2CYP2C9HIF1A
SCHEMBL20467686 0.73 GPR132 (0.48) CYP1A2CYP2C9FAAHACE
SCHEMBL21837579 0.73 GPR132 (0.48) CYP1A2CYP2C9FAAHACE
SCHEMBL9233015 0.71 MEN1 (0.48) GRNSORT1CYP1A2CYP2C9HIF1A
SCHEMBL21837370 0.70 ACE (0.49) CYP1A2CYP2C9PIN1FAAHACE
SCHEMBL21837371 0.70 ACE (0.49) CYP1A2CYP2C9PIN1FAAHACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds CHIRACON GMBH (DE) 2005-04-14 US claimed
US-7626022-B2 Racemic mixtures; oxidation; cyclization; crystallization CHIRACON GMBH (DE) 2009-12-01 US disclosed
US-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds CHIRACON GMBH (DE) 2005-04-14 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 (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-20050080263-A1 Method for producing ss-heteroaryl-alpha-alanine compounds using 2-amino-2-(heteroarylmethyl) carboxylic acid compounds AAAS, ASNS, AADAT GRN 3433/4885SORT1 2599/4885CYP1A2 95/4885

“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.