SCHEMBL4786833

SCHEMBL4786833

O=C(O)N1CCC(Oc2cncc(C(=O)n3ccnc3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
FAAH O00519 1/20 0.43
NAMPT P43490 1/20 0.39
MMP1 P03956 2/20 0.38
PRMT5 O14744 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP11B2 P19099 2/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37
SCD5 Q86SK9 1/20 0.36
SPR P35270 1/20 0.36

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
SCHEMBL4894776 0.86 GPR119 (0.47) ALDH1A1HTT
SCHEMBL4786440 0.76 CHEK2 (0.46) CYP11B2
SCHEMBL4890923 0.76 CHEK2 (0.46) CYP11B2
SCHEMBL17555503 0.74 L3MBTL4 (0.43) ALDH1A1HTTCYP11B2EPHX2SCD5
SCHEMBL4743715 0.74 ALDH1A1 (0.41) ALDH1A1HTTNAMPTPRMT5OPRK1
SCHEMBL19473362 0.73 PRMT5 (0.45) ALDH1A1HTTFAAHPRMT5OPRK1
SCHEMBL17559499 0.72 PRMT5 (0.44) ALDH1A1HTTFAAHPRMT5OPRK1
SCHEMBL17559339 0.71 PRMT5 (0.45) ALDH1A1HTTPRMT5HRH3CYP11B2
SCHEMBL2305909 0.71 EPHX2 (0.63) ALDH1A1HTTHRH3EPHX2SPR
SCHEMBL4745663 0.70 GPR119 (0.53) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 ALDH1A1 2573/4885HTT 2725/4885FAAH 3229/4885

“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.