SCHEMBL21973387

SCHEMBL21973387

CC(C)C(=O)NC[C@@H](N)CN

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.34
DNPEP Q9ULA0 1/20 0.34
MMP2 P08253 4/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL20685655 0.83 DPP7 (0.40) ANPEPDNPEPMMP2CYP2D6CYP2C19
SCHEMBL14090968 0.81 ENPEP (0.44) ANPEPMMP2
SCHEMBL22162694 0.80 MMP2 (0.42) ANPEPDNPEPMMP2CYP2D6CYP2C19
SCHEMBL20685656 0.80 MMP2 (0.42) ANPEPDNPEPMMP2CYP2D6CYP2C19
SCHEMBL20685654 0.80 MMP2 (0.42) ANPEPDNPEPMMP2CYP2D6CYP2C19
SCHEMBL11652880 0.79 ANPEP (0.37) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
SCHEMBL28296680 0.79 ANPEP (0.43) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
SCHEMBL20685681 0.79 GABRP (0.39) ANPEPDNPEPMMP2CYP2D6CYP2C19
SCHEMBL20102958 0.77 ANPEP (0.40) ANPEPDNPEPCYP2D6CYP2C19CYP2C9
SCHEMBL14090962 0.77 ALDH1A1 (0.36) ANPEPDNPEPCYP2D6CYP2C19CYP2C9

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-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 ANPEP 2014/4885DNPEP 1686/4885MMP2 820/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 ANPEP 2014/4885DNPEP 1686/4885MMP2 820/4885

“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.