SCHEMBL3495980

SCHEMBL3495980

N#CC1(C(=O)NCc2ccc(Cl)nc2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
NAMPT P43490 2/20 0.42
CYP2C9 P11712 1/20 0.42
FAAH O00519 1/20 0.42
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HDAC1 Q13547 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL13343949 0.84 NAMPT (0.44) FPR2NAMPTCYP2C9FAAHCTSL
SCHEMBL3491932 0.83 NAMPT (0.43) FPR2NAMPTCYP2C9FAAHCTSL
SCHEMBL3493982 0.81 FPR2 (0.47) FPR2NAMPTCYP2C9FAAHL3MBTL1
SCHEMBL3492864 0.77 NAMPT (0.45) NAMPTMAPT
SCHEMBL3490979 0.76 AKT2 (0.62) CYP2C9
SCHEMBL5843138 0.71 MCL1 (0.56) FPR2NAMPTCYP2C9FAAHL3MBTL1
SCHEMBL3704245 0.70 L3MBTL1 (0.56) FPR2NAMPTCYP2C9FAAHL3MBTL1
SCHEMBL13343969 0.69 NAMPT (0.45) FPR2NAMPTCYP2C9FAAHL3MBTL1
SCHEMBL2632301 0.69 ALDH1A1 (0.57) FPR2NAMPTCYP2C9FAAHL3MBTL1
SCHEMBL625919 0.69 CYP2C9 (0.61) FPR2NAMPTCYP2C9FAAHL3MBTL1

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 6 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
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
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
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 FPR2 768/4885NAMPT 3072/4885CYP2C9 1102/4885

“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.