SCHEMBL4497169

SCHEMBL4497169

CCC(=O)N(CCN(C)Cc1ccccc1)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.37
NAMPT P43490 1/20 0.36
TMEM97 Q5BJF2 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
ACKR3 P25106 1/20 0.35
OPRM1 P35372 1/20 0.35
CETP P11597 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
ACHE P22303 2/20 0.33
LTA4H P09960 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
BCHE P06276 1/20 0.33
PDK1 Q15118 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
SCHEMBL4487240 0.92 BACE1 (0.38) BACE1NAMPTTMEM97SIGMAR1ACKR3
SCHEMBL4482258 0.91 BACE1 (0.39) BACE1OPRM1CETP
SCHEMBL4482260 0.91 BACE1 (0.39) BACE1OPRM1CETP
SCHEMBL4486121 0.91 TMEM97 (0.43) TMEM97SIGMAR1PTGDR2ACHELTA4H
SCHEMBL4490077 0.87 BACE1 (0.39) BACE1OPRM1CETP
SCHEMBL4490084 0.87 BACE1 (0.39) BACE1OPRM1CETP
SCHEMBL4497172 0.87 BACE1 (0.38) BACE1SIGMAR1OPRM1
SCHEMBL4497166 0.87 BACE1 (0.38) BACE1SIGMAR1OPRM1
SCHEMBL4498293 0.86 BACE1 (0.38) BACE1NAMPTPDK1
SCHEMBL4498295 0.86 BACE1 (0.38) BACE1NAMPTPDK1

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-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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR BACE1 1615/4885NAMPT 3483/4885TMEM97 2293/4885

“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.