SCHEMBL12890791

SCHEMBL12890791

CNCCC[C@H](NC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.44
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
CPB2 Q96IY4 1/20 0.37
FOLH1 Q04609 5/20 0.37
NOD1 Q9Y239 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1B Q00975 2/20 0.34
GNPAT O15228 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
RIMKLA Q8IXN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL22100977 1.00 KISS1R (0.44) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL13323375 1.00 KISS1R (0.44) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL434550 0.94 CPB2 (0.43) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL19401625 0.94 CPB2 (0.43) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL13057114 0.94 CPB2 (0.43) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL14002511 0.86 FOLH1 (0.35) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL29187495 0.86 FOLH1 (0.35) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL1082586 0.84 NOD1 (0.43) FOLH1NOD1GNPATNAALAD2RIMKLA
SCHEMBL13366903 0.83 KISS1R (0.53) KISS1RHTR2AHRH1CPB2FOLH1
SCHEMBL14525182 0.83 KISS1R (0.53) KISS1RHTR2AHRH1CPB2FOLH1

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
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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 (2 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 KISS1R 4856/4885HTR2A 2215/4885HRH1 4609/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP KISS1R 4103/4885HTR2A 2968/4885HRH1 3112/4885

“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.