SCHEMBL3303264

SCHEMBL3303264

COC(=O)C1CCC(c2ccc(N)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KDM5A P29375 1/20 0.39
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
TNK2 Q07912 2/20 0.38
NEK2 P51955 1/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCRL2 O00421 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
ALDH1A1 P00352 1/20 0.35
DGAT1 O75907 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
SCHEMBL3303260 1.00 KDM4E (0.40) KDM4EKDM5ACCR2KCNH2PDGFRB
SCHEMBL15588659 0.85 MAPKAPK2 (0.38) KDM5ACCR2KCNH2MEN1KMT2A
Propionic Acid SCHEMBL27895434 0.81 KDM5A (0.41) KDM4EKDM5ACCR2KCNH2MEN1
SCHEMBL16053525 0.80 DGAT1 (0.42) KDM5ACCR2KCNH2CCRL2DGAT1
SCHEMBL13009522 0.80 DGAT1 (0.42) KDM5ACCR2KCNH2CCRL2DGAT1
SCHEMBL30141664 0.79 NOTUM (0.43) KDM5ACCR2KCNH2MEN1KMT2A
SCHEMBL3388699 0.79 NOTUM (0.43) KDM5ACCR2KCNH2MEN1KMT2A
SCHEMBL16969223 0.79 CYP1A2 (0.37) KDM5ACCR2KCNH2LMNAL3MBTL1
SCHEMBL23245949 0.78 KDM5A (0.50) KDM5ADGAT1
SCHEMBL30983588 0.78 KDM5A (0.50) KDM5ADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2010-04-15 US 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-20100093733-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES CPS1, GOT2, GPR119 KDM4E 1803/4885KDM5A 2116/4885CCR2 3290/4885

“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.