SCHEMBL3226417

SCHEMBL3226417

CN1CCCC1CCC(C(=O)O)c1ccc(C=CC(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.45

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
SCHEMBL1968700 1.00 CHRM3 (0.45) CHRM3
SCHEMBL3230462 0.93 CHRM3 (0.44) CHRM3
SCHEMBL1966327 0.93 CHRM3 (0.44) CHRM3
SCHEMBL13458249 0.89 CHRM3 (0.43) CHRM3
SCHEMBL3229853 0.83 HDAC1 (0.44) CHRM3
SCHEMBL3229872 0.83 HDAC1 (0.44) CHRM3
SCHEMBL3226412 0.83 BCL9 (0.39) CHRM3
SCHEMBL9976632 0.80 EGFR (0.43)
SCHEMBL12356629 0.78 NPC1 (0.45)
SCHEMBL1965072 0.77 TRPV1 (0.39)

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-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 CHRM3 2915/4885

“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.