SCHEMBL13675575

SCHEMBL13675575

COC(=O)/C=C/c1ccc(CC2CCN(C3CCC4(CC3)CC4)C2=O)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
TTR P02766 1/20 0.35
APP P05067 1/20 0.35
NR1H4 Q96RI1 10/20 0.35
PTPN1 P18031 1/20 0.34
FDPS P14324 1/20 0.34
EPHX2 P34913 1/20 0.34
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCR2 P41597 1/20 0.33
GPR183 P32249 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL13674562 0.92 KDM4E (0.36) KDM4EALDH1A1KCNH2HDAC1TTR
SCHEMBL4522841 0.82 PTPN11 (0.39) ALDH1A1KCNH2HDAC1CCR2HSD11B1
SCHEMBL4522833 0.82 PTPN11 (0.39) ALDH1A1KCNH2HDAC1CCR2HSD11B1
SCHEMBL13674434 0.81 HSD11B1 (0.42) ALDH1A1TTRFDPSHTTHSD11B1
SCHEMBL13675623 0.79 HSD11B1 (0.35) HSD11B1
SCHEMBL4519356 0.78 HSD11B1 (0.49) ALDH1A1HDAC1NR1H4GPR183HSD11B1
SCHEMBL4519361 0.78 HSD11B1 (0.49) ALDH1A1HDAC1NR1H4GPR183HSD11B1
SCHEMBL4508780 0.76 HSD11B1 (0.37) ALDH1A1CCR2GPR183HSD11B1
SCHEMBL13675467 0.75 HSD11B1 (0.39) HSD11B1
SCHEMBL13674485 0.73 OPRM1 (0.39) ALDH1A1MAPTHSD11B1

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 KDM4E 2703/4885ALDH1A1 51/4885KCNH2 3570/4885

“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.