SCHEMBL3156233

SCHEMBL3156233

CN1CCC(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.51
NR4A1 P22736 1/20 0.43
ESR2 Q92731 1/20 0.43
ABCB1 P08183 2/20 0.42
FLT1 P17948 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 1/20 0.41
IDO1 P14902 1/20 0.40
RAF1 P04049 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
CYP3A4 P08684 1/20 0.39
KIT P10721 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
SCHEMBL5626459 0.90 KDR (0.53) KDRNR4A1ESR2ABCB1FLT1
SCHEMBL6223371 0.86 KDR (0.48) KDRABCB1KDM4EMEN1LMNA
SCHEMBL447011 0.84 KDR (0.66) KDRABCB1FLT1RAF1LCK
SCHEMBL6105558 0.83 KDR (0.56) KDRABCB1FLT1KDM4EMEN1
SCHEMBL6225160 0.83 KDR (0.43) KDRNR4A1ESR2ABCB1FLT1
SCHEMBL3147285 0.82 KDR (0.51) KDRABCB1FLT1RAF1LCK
SCHEMBL3149605 0.82 KDR (0.51) KDRABCB1FLT1RAF1LCK
SCHEMBL3150062 0.82 KDR (0.51) KDRABCB1FLT1RAF1LCK
SCHEMBL3149963 0.82 KDR (0.45) KDRABCB1FLT1KDM4EMEN1
SCHEMBL13417720 0.81 KDR (0.52) KDRABCB1FLT1RAF1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 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 (2 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885NR4A1 2024/4885ESR2 2333/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885NR4A1 2024/4885ESR2 2333/4885

“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.