SCHEMBL3492864

SCHEMBL3492864

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)NCc2ccc(Cl)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 6/20 0.41
JAK1 P23458 6/20 0.41
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL3494553 0.87 NAMPT (0.44) NAMPTJAK2JAK1
SCHEMBL14155608 0.85 NAMPT (0.47) NAMPTSMN1; SMN2HTTNPSR1MEN1
SCHEMBL3491932 0.85 NAMPT (0.43) NAMPTMEN1KMT2AMAPT
SCHEMBL13343949 0.84 NAMPT (0.44) NAMPTMEN1KMT2AMAPT
SCHEMBL3491340 0.83 NAMPT (0.46) NAMPTSMN1; SMN2HTTNPSR1MEN1
SCHEMBL3657563 0.79 HTT (0.48) SMN1; SMN2HTTNPSR1JAK2JAK1
SCHEMBL3492862 0.78 NR1H2 (0.39) JAK2JAK1MEN1KMT2AOPRD1
SCHEMBL3492228 0.77 F13A1 (0.46) NPSR1JAK2JAK1MEN1KMT2A
SCHEMBL3495980 0.77 FPR2 (0.42) NAMPTMAPT
SCHEMBL31158355 0.77 POLB (0.42) JAK2JAK1MEN1KMT2AOPRD1

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 4 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
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 NAMPT 3072/4885SMN1; SMN2 3995/4885HTT 2825/4885

“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.