SCHEMBL3158672

SCHEMBL3158672

CN(C(=O)CN1CCCC1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.47
RAD52 P43351 2/20 0.45
OPRK1 P41145 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SLC6A3 Q01959 1/20 0.40
PPIB P23284 2/20 0.40
HTT P42858 1/20 0.39
POLQ O75417 1/20 0.39

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
SCHEMBL3148838 0.98 DRD4 (0.48) DRD4HRH3LMNARAD52OPRK1
SCHEMBL30921473 0.97 DRD4 (0.49) DRD4HRH3LMNARAD52OPRK1
SCHEMBL4490990 0.89 DRD4 (0.46) DRD4HRH3LMNASIGMAR1
SCHEMBL4487965 0.88 DRD4 (0.50) DRD4HRH3LMNARAD52GFER
SCHEMBL436539 0.88 DRD4 (0.50) DRD4HRH3LMNAGFERALDH1A1
SCHEMBL24538671 0.87 DRD4 (0.49) DRD4HRH3LMNAOPRK1ALDH1A1
SCHEMBL18851564 0.87 DRD4 (0.46) DRD4HRH3LMNASIGMAR1ALDH1A1
SCHEMBL3144650 0.87 HRH3 (0.58) DRD4HRH3LMNAALDH1A1HTT
SCHEMBL8354585 0.86 LMNA (0.61) DRD4HRH3LMNASIGMAR1ALDH1A1
SCHEMBL17976084 0.85 DRD4 (0.48) DRD4HRH3LMNAALDH1A1PPIB

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 11 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-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 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 DRD4 1051/4885HRH3 869/4885LMNA 1884/4885

“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.