SCHEMBL3492129

SCHEMBL3492129

N#CC1(C(=O)Nc2ccc(Cl)cn2)CCN(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
PTK2 Q05397 1/20 0.45
ALDH1A1 P00352 1/20 0.44
USP30 Q70CQ3 1/20 0.43
NPY5R Q15761 1/20 0.42
IDO1 P14902 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
BRD4 O60885 1/20 0.40
DPP4 P27487 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 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
SCHEMBL4438985 0.86 RAB9A (0.47) L3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL3492228 0.84 F13A1 (0.46) L3MBTL1PTK2USP30TDP1RAB9A
SCHEMBL3493008 0.83 RAB9A (0.46) LMNARAB9ANPC1DPP4HTT
SCHEMBL3494863 0.82 ALDH1A1 (0.50) L3MBTL1ALDH1A1RAB9ANPC1HTT
SCHEMBL3495082 0.79 L3MBTL1 (0.47) L3MBTL1PTK2ALDH1A1NPY5RIDO1
SCHEMBL3493858 0.74 USP30 (0.48) USP30GRM5
SCHEMBL3492949 0.74 USP30 (0.48) USP30
SCHEMBL3491932 0.74 NAMPT (0.43) L3MBTL1TDP1
SCHEMBL16685112 0.72 USP30 (0.46) USP30IDO1DPP4
SCHEMBL3494561 0.71 F13A1 (0.46) ALDH1A1TSHRRAB9ANPC1

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 L3MBTL1 4440/4885PTK2 106/4885ALDH1A1 3757/4885

“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.