SCHEMBL12890801

SCHEMBL12890801

CN[C@@H](CCCN)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
FOLH1 Q04609 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP1A2 P05177 1/20 0.35
LNPEP Q9UIQ6 4/20 0.35
ERAP2 Q6P179 3/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
CPB2 Q96IY4 2/20 0.35
ERAP1 Q9NZ08 2/20 0.34
CNR2 P34972 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GSR P00390 1/20 0.32

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
SCHEMBL27593963 1.00 ANPEP (0.39) ANPEPFOLH1CA1CA2CYP1A2
SCHEMBL4912676 0.94 ANPEP (0.44) ANPEPFOLH1CA1CA2LNPEP
SCHEMBL5503280 0.94 ANPEP (0.44) ANPEPFOLH1CA1CA2LNPEP
Hydrochloric Acid SCHEMBL7202066 0.92 ANPEP (0.43) ANPEPFOLH1LNPEPERAP2ZDHHC7
SCHEMBL25634935 0.85 CPB2 (0.47) FOLH1CYP1A2CPB2SIRT6SIRT1
SCHEMBL10296119 0.85 CPB2 (0.47) FOLH1CYP1A2CPB2SIRT6SIRT1
SCHEMBL30714293 0.84 ANPEP (0.39) ANPEPFOLH1CA1CA2CYP1A2
SCHEMBL22291193 0.84 ANPEP (0.39) ANPEPFOLH1CA1CA2CYP1A2
SCHEMBL22291195 0.84 ANPEP (0.39) ANPEPFOLH1CA1CA2CYP1A2
SCHEMBL10907791 0.84 ANPEP (0.39) ANPEPFOLH1CA1CA2CYP1A2

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-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 ANPEP 1182/4885FOLH1 3718/4885CA1 4861/4885

“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.