SCHEMBL14199860

SCHEMBL14199860

CC(C)CN[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.41
CPB1 P15086 1/20 0.38
MAPT P10636 1/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MME P08473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FOLH1 Q04609 1/20 0.30
ECE1 P42892 1/20 0.30

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
SCHEMBL1667937 0.86 CPB2 (0.44) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL1667938 0.86 CPB2 (0.44) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL201189 0.85 CPB2 (0.42) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL201190 0.85 CPB2 (0.42) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL10612551 0.84 CPB2 (0.38) CPB2CPB1CYP1A2CYP3A4
SCHEMBL10777853 0.84 CPB2 (0.40) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL7074055 0.84 CPB2 (0.40) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL147911 0.84 CPB2 (0.38) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL28558505 0.84 CPB2 (0.38) CPB2CPB1ALDH1A1CYP1A2CYP3A4
SCHEMBL6009497 0.83 CPB2 (0.36) CPB2CPB1

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 CPB2 2366/4885CPB1 2924/4885MAPT 4669/4885

“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.