SCHEMBL1245993

SCHEMBL1245993

NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)NCc1nc(-c2ccccc2)ns1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
MMP2 P08253 1/20 0.42
LNPEP Q9UIQ6 3/20 0.39
ERAP2 Q6P179 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP9 P14780 2/20 0.39
NFKB1 P19838 1/20 0.38
PSMB5 P28074 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MMP8 P22894 4/20 0.38
CALCRL Q16602 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 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
SCHEMBL4949399 0.86 SMN1; SMN2 (0.42) LNPEPERAP2MMP8
SCHEMBL1246092 0.85 SMN1; SMN2 (0.51) MMP2LNPEPERAP2ERAP1NFKB1
SCHEMBL7850380 0.80 CHRNB2 (0.58) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL1244320 0.77 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7857980 0.76 LNPEP (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL1246343 0.76 LNPEP (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7857085 0.76 MMP2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7857066 0.75 MMP8 (0.66) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL7859178 0.75 MMP8 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL1246519 0.75 LTA4H (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MMP2

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 8 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-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-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-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-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
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 CHRNB2 4874/4885CHRNB4 4832/4885CHRNA3 4801/4885

“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.