SCHEMBL23856940

SCHEMBL23856940

CC(C)(C)OC(=O)NCCC1CN(c2ccc3c(c2)NC(=O)CO3)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.42
MAPT P10636 1/20 0.41
GRM2 Q14416 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL30253390 1.00 TRPV1 (0.42) TRPV1MAPTGRM2ALDH1A1KMT2A
SCHEMBL590827 0.91 F10 (0.44) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL590826 0.91 F10 (0.44) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23857533 0.86 ALDH1A1 (0.45) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23856492 0.85 TRPV1 (0.40) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23856495 0.85 TRPV1 (0.40) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL30253214 0.85 TRPV1 (0.40) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23871554 0.85 TRPV1 (0.40) TRPV1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL23857022 0.85 KCNH2 (0.43) GRM2KCNH2
SCHEMBL632704 0.82 GAA (0.44) TRPV1DRD2KCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 TRPV1 897/4885MAPT 4237/4885GRM2 3931/4885

“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.