SCHEMBL23857732

SCHEMBL23857732

Cc1nccc2c1CC(NC(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM7 Q14831 2/20 0.37
▸ CA1 P00915 7/20 0.36
▸ CA2 P00918 7/20 0.36
▸ ACHE P22303 4/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ CA12 O43570 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ CHRM4 P08173 2/20 0.33
▸ LNPEP Q9UIQ6 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
SCHEMBL23871455 0.83 EPHX2 (0.50) —
SCHEMBL23856726 0.83 GRM7 (0.35) GRM7NPC1LMNARAB9AKIT
SCHEMBL23857588 0.82 GSK3A (0.33) GRM7CA1CA2ACHEMTNR1A
SCHEMBL11895501 0.74 GRM7 (0.45) GRM7CA1CA2ACHEMTNR1A
SCHEMBL28908725 0.72 CRHR1 (0.33) —
SCHEMBL25289021 0.72 CA1 (0.38) GRM7CA1CA2ACHECA12
SCHEMBL23857169 0.72 KDM4E (0.33) —
SCHEMBL26650233 0.71 CA1 (0.41) GRM7CA1CA2ACHEMTNR1A
SCHEMBL9851524 0.70 GRM7 (0.59) GRM7CA1CA2MTNR1AMTNR1B
SCHEMBL25287604 0.70 GRM7 (0.37) GRM7CA1CA2ACHECA12

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 4 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
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 — — EP 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 GRM7 4042/4885CA1 4207/4885CA2 2939/4885

“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.

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