SCHEMBL3458700

SCHEMBL3458700

CCCC[CH]N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
DRD2 P14416 1/20 0.54
CHRNA7 P36544 3/20 0.53
KCNH2 Q12809 1/20 0.47
DPP4 P27487 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
PLA2G1B P04054 1/20 0.44
KMT2A Q03164 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD4 P21917 1/20 0.43
PTGS2 P35354 1/20 0.42
ALOX15 P16050 2/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRNB2 P17787 1/20 0.42

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
SCHEMBL3463167 0.95 SIGMAR1 (0.53) SIGMAR1DRD2CHRNA7KCNH2DPP4
SCHEMBL3629706 0.89 DRD2 (0.58) SIGMAR1DRD2CHRNA7KCNH2MAPT
SCHEMBL27592747 0.82 CHRNA7 (0.60) SIGMAR1DRD2CHRNA7KCNH2MAPT
SCHEMBL11053591 0.77 TSHR (0.52) SIGMAR1DRD2CHRNA7KCNH2MAPT
SCHEMBL27772749 0.76 DRD2 (0.46) SIGMAR1DRD2CHRNA7KCNH2DPP4
SCHEMBL155128 0.75 SIGMAR1 (0.79) SIGMAR1DRD2CHRNA7KCNH2CYP2D6
SCHEMBL28132290 0.75 KDM4E (0.53) SIGMAR1DRD2MAPTLMNANPSR1
SCHEMBL28133088 0.74 KCNH2 (0.54) SIGMAR1DRD2KCNH2MAPTNPSR1
Hexane SCHEMBL28857999 0.74 DRD2 (0.56) SIGMAR1DRD2CHRNA7KCNH2DPP4
SCHEMBL7594226 0.74 KCNH2 (0.79) SIGMAR1DRD2CHRNA7KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4599062-B2 2010-12-15 JP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP disclosed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP disclosed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US disclosed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP disclosed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP 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-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 SIGMAR1 3828/4885DRD2 4246/4885CHRNA7 3350/4885

“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.