SCHEMBL3493008

SCHEMBL3493008

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TRPV1 Q8NER1 9/20 0.46
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
PTGS1 P23219 1/20 0.44
DPP4 P27487 2/20 0.43
EPHX2 P34913 1/20 0.42
GAA P10253 1/20 0.42
FGFR4 P22455 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4444104 0.86 HIF1A (0.44) RAB9ANPC1TRPV1HIF1AEPAS1
SCHEMBL3493368 0.86 MAPT (0.46) TRPV1HIF1AEPAS1EPHX2GAA
SCHEMBL3493858 0.85 USP30 (0.48)
SCHEMBL3492129 0.83 L3MBTL1 (0.47) RAB9ANPC1DPP4LMNAHTT
SCHEMBL4438985 0.83 RAB9A (0.47) RAB9ANPC1GAAFGFR4MAPT
SCHEMBL3494267 0.80 HIF1A (0.47) RAB9ANPC1TRPV1HIF1AEPAS1
SCHEMBL3492949 0.80 USP30 (0.48) TRPV1EPHX2
SCHEMBL3494863 0.79 ALDH1A1 (0.50) RAB9ANPC1GAAMAPTHTT
SCHEMBL3493133 0.75 NAMPT (0.47) TRPV1
SCHEMBL14834356 0.72 CCR6 (0.59) RAB9ANPC1TRPV1PTGS1DPP4

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 RAB9A 879/4885NPC1 457/4885TRPV1 1203/4885

“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.