SCHEMBL4500233

SCHEMBL4500233

CC(C)N(C(=O)CN1CCNCC1)c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 9/20 0.39
CCKBR P32239 9/20 0.39
IDH1 O75874 1/20 0.38
BACE1 P56817 1/20 0.36
MC4R P32245 4/20 0.35
MC1R Q01726 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL4500228 1.00 CCKAR (0.39) CCKARCCKBRIDH1BACE1MC4R
SCHEMBL4497113 0.91 SLC2A1 (0.36) CCKARCCKBRALDH1A1
SCHEMBL4497110 0.91 SLC2A1 (0.36) CCKARCCKBRALDH1A1
SCHEMBL4492795 0.91 MELK (0.40) IDH1BACE1ALDH1A1
SCHEMBL4492799 0.91 MELK (0.40) IDH1BACE1ALDH1A1
SCHEMBL2566937 0.89 AAK1 (0.43) CCKARCCKBRALDH1A1CHRNB2CHRNB4
SCHEMBL2566933 0.89 AAK1 (0.43) CCKARCCKBRALDH1A1CHRNB2CHRNB4
SCHEMBL2118820 0.88 ALDH1A1 (0.40) CCKARCCKBRALDH1A1
SCHEMBL2118815 0.88 ALDH1A1 (0.40) CCKARCCKBRALDH1A1
SCHEMBL20699292 0.88 ALDH1A1 (0.40) CCKARCCKBRALDH1A1

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CCKAR 402/4885CCKBR 976/4885IDH1 340/4885

“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.