SCHEMBL4490990

SCHEMBL4490990

CN1CCCN(CC(=O)N(C)c2ccc(N)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
MELK Q14680 8/20 0.44
LMNA P02545 3/20 0.44
CHEK1 O14757 3/20 0.44
PRKAB2 O43741 3/20 0.44
NUAK1 O60285 3/20 0.44
MAPK1 P28482 3/20 0.44
PRKAG1 P54619 3/20 0.44
PRKAA2 P54646 3/20 0.44
PRKAA1 Q13131 3/20 0.44
CAMKK2 Q96RR4 3/20 0.44
PRKAG3 Q9UGI9 3/20 0.44
PRKAG2 Q9UGJ0 3/20 0.44
PRKAB1 Q9Y478 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
SIGMAR1 Q99720 3/20 0.40
CHKA P35790 2/20 0.40

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
SCHEMBL436539 0.95 DRD4 (0.50) DRD4MELKLMNACHEK1PRKAB2
SCHEMBL30921473 0.92 DRD4 (0.49) DRD4LMNAMAPK1HRH3SIGMAR1
SCHEMBL3158672 0.89 DRD4 (0.49) DRD4LMNAHRH3SIGMAR1
SCHEMBL3148838 0.88 DRD4 (0.48) DRD4LMNAHRH3SIGMAR1
SCHEMBL28073437 0.85 DRD4 (0.42) DRD4MELKLMNACHEK1PRKAB2
SCHEMBL17976084 0.84 DRD4 (0.48) DRD4MELKLMNACHEK1PRKAB2
SCHEMBL4487965 0.83 DRD4 (0.50) DRD4MELKLMNACHEK1PRKAB2
SCHEMBL24538671 0.82 DRD4 (0.49) DRD4MELKLMNACHEK1PRKAB2
SCHEMBL4481019 0.82 LMNA (0.46) DRD4LMNASIGMAR1CA2
SCHEMBL8256016 0.82 LMNA (0.52) DRD4MELKLMNACHEK1PRKAB2

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 DRD4 1051/4885MELK 579/4885LMNA 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.