SCHEMBL3494863

SCHEMBL3494863

N#CC1(C(=O)Nc2ccccn2)CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
BUB1 O43683 1/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
PIM1 P11309 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 0.42
AURKB Q96GD4 1/20 0.42
GAA P10253 1/20 0.41
MME P08473 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3492076 0.83 JAK2 (0.53) ALDH1A1HTTATM
SCHEMBL4438985 0.82 RAB9A (0.47) ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3492129 0.82 L3MBTL1 (0.47) ALDH1A1HTTNPC1RAB9AL3MBTL1
SCHEMBL3493858 0.80 USP30 (0.48) BUB1
SCHEMBL3493008 0.79 RAB9A (0.46) HTTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL27008487 0.73 HCRTR2 (0.50) ALDH1A1HTTNPC1RAB9APKM
SCHEMBL27008613 0.73 HCRTR2 (0.50) ALDH1A1HTTNPC1RAB9APKM
SCHEMBL761722 0.73 PRKCA (0.51) ALDH1A1L3MBTL1
SCHEMBL23647559 0.72 CYP46A1 (0.44) ALDH1A1HTTGAAMAPTKDM4E
SCHEMBL3492949 0.72 USP30 (0.48) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 ALDH1A1 3757/4885HTT 2825/4885BUB1 2692/4885

“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.