SCHEMBL4554735

SCHEMBL4554735

CC(C)(C)OC(=O)N1CCCC1C(OCC(F)(F)F)(c1ccc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.51
PTGES O14684 2/20 0.39
TRPV1 Q8NER1 7/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
BTK Q06187 1/20 0.36
EP300 Q09472 1/20 0.35
HSD11B1 P28845 1/20 0.35
MET P08581 1/20 0.35
NR3C1 P04150 1/20 0.35
FLT1 P17948 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4554734 0.85 KDR (0.52) KDRPTGESTRPV1NPC1HPGD
SCHEMBL5421692 0.83 NR3C1 (0.39) KDRPTGESTRPV1NPC1NR3C1
SCHEMBL3149822 0.82 KDR (0.58) KDRFLT1
SCHEMBL13867895 0.81 KDR (0.51) KDRPTGESTRPV1NPC1HPGD
SCHEMBL3901456 0.78 KDR (0.51) KDRPTGESTRPV1NPC1HPGD
SCHEMBL13867926 0.78 KDR (0.51) KDRPTGESTRPV1NPC1HPGD
SCHEMBL5873426 0.78 KDR (0.51) KDRPTGESTRPV1NPC1HPGD
SCHEMBL4973580 0.77 MEN1 (0.45) PTGESMEN1MAPTKMT2A
SCHEMBL3150769 0.77 KDR (0.53) KDRHPGDFLT1MEN1MAPT
SCHEMBL5873423 0.76 KDR (0.51) KDRPTGESTRPV1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4392348-B2 2009-12-24 JP claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
JP-2006502118-A 2006-01-19 JP claimed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP claimed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885PTGES 414/4885TRPV1 3811/4885

“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.