SCHEMBL6753704

SCHEMBL6753704

CC(=O)N(C)CCC(C)C([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.38
▸ CHRM2 P08172 2/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL12384299 0.78 ALDH1A1 (0.38) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL12633371 0.74 GABRP (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13770949 0.74 CHRNB2 (0.46) CHRM1
SCHEMBL25955713 0.74 CHRM1 (0.35) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14280513 0.73 CHRM1 (0.32) CHRM1
SCHEMBL22912887 0.72 USP2 (0.36) CHRM1
SCHEMBL6753722 0.72 NOS3 (0.32) CHRM1NOS3NOS1NOS2
SCHEMBL7942491 0.71 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13780656 0.71 ALDH1A1 (0.38) CHRM1
SCHEMBL23153529 0.70 CHRM1 (0.35) CHRM1

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
US-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 — — US claimed
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-04 — — US claimed
US-6638965-B2 Antitumor agents BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-28 — — US claimed
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-10 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040044053-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 CHRM1 2265/4885CHRM2 3239/4885CHRM4 4235/4885
US-20040044222-A1 New substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, MKI67, CSNK1A1 CHRM1 2265/4885CHRM2 3239/4885CHRM4 4235/4885
US-20030069299-A1 Substituted indolinones, preparation thereof and their use as pharmaceutical compositions CCNI, CSNK1A1, MKI67 CHRM1 1618/4885CHRM2 3032/4885CHRM4 3595/4885

“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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