SCHEMBL3141964

SCHEMBL3141964

COCCN(CCOC)CC(=O)N(C)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIB P23284 2/20 0.43
CYP2D6 P10635 4/20 0.41
MAOA P21397 3/20 0.41
TSHR P16473 2/20 0.41
HTR3A P46098 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
CACNA1B Q00975 1/20 0.38
MCHR1 Q99705 2/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CHRM2 P08172 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3148384 0.88 PPIB (0.43) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL3159644 0.83 CYP3A4 (0.43) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL4738078 0.81 PPIB (0.47) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL3145062 0.81 KCNH2 (0.45) CYP2D6TSHRKMT2ALMNACYP3A4
SCHEMBL6325187 0.80 ALDH1A1 (0.46) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL3941842 0.78 PPIB (0.52) PPIBMAOATSHRPHLPP2KMT2A
SCHEMBL3145218 0.77 PPIB (0.46) PPIBCYP2D6MAOATSHRPHLPP2
SCHEMBL3153207 0.74 PHLPP2 (0.43) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL737988 0.72 ALDH1A1 (0.47) PPIBCYP2D6MAOATSHRHTR3A
SCHEMBL4506617 0.72 PPIB (0.47) PPIBCYP2D6MAOATSHRPHLPP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US 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
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 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 PPIB 2369/4885CYP2D6 83/4885MAOA 822/4885

“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.