SCHEMBL4500145

SCHEMBL4500145

CN(C)CCCN(C)C(=O)Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PHLPP2 Q6ZVD8 1/20 0.43
LTB4R Q15722 6/20 0.42
LTB4R2 Q9NPC1 6/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL4497778 0.90 PHLPP2 (0.45) PHLPP2LTB4RLTB4R2SIGMAR1OPRK1
SCHEMBL15652035 0.83 LTB4R (0.43) PHLPP2LTB4RLTB4R2SIGMAR1OPRK1
SCHEMBL17011380 0.79 OPRK1 (0.41) LTB4RLTB4R2SIGMAR1OPRK1
SCHEMBL17011382 0.79 SIGMAR1 (0.46) PHLPP2LTB4RLTB4R2SIGMAR1OPRK1
SCHEMBL4490731 0.79 SIGMAR1 (0.63) TSHRSIGMAR1OPRK1
SCHEMBL4052270 0.77 NUDT1 (0.49) PHLPP2TSHROPRK1LMNA
SCHEMBL4488661 0.77 PHLPP2 (0.53) PHLPP2TSHRLMNA
SCHEMBL12460026 0.77 OPRK1 (0.44) LTB4RLTB4R2SIGMAR1OPRK1LMNA
SCHEMBL12460081 0.75 OPRK1 (0.43) LTB4RLTB4R2SIGMAR1OPRK1
SCHEMBL12460089 0.75 HPGD (0.51) LMNA

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 PHLPP2 1485/4885LTB4R 1011/4885LTB4R2 1491/4885

“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.