SCHEMBL13675514

SCHEMBL13675514

CC=C1CCC(N2CCC(Cc3ccc(NC(C)=O)cc3Cl)C2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.38
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
ACHE P22303 1/20 0.34
MCHR1 Q99705 1/20 0.34
IDO1 P14902 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL13675622 0.91 MEN1 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL5548898 0.84 RORC (0.39) RORCATAD2CECR2ALDH1A1KDM4E
SCHEMBL4502644 0.79 EPHX2 (0.42) HPGDSMN1; SMN2HSD11B1
SCHEMBL4508795 0.77 NPY2R (0.35) ALDH1A1KDM4EHPGDHSD11B1MCHR1
SCHEMBL13674531 0.77 BMPR1B (0.38) ATAD2CECR2ALDH1A1POLBSMN1; SMN2
SCHEMBL4528168 0.77 BMPR1B (0.38) ATAD2CECR2ALDH1A1POLBSMN1; SMN2
SCHEMBL4513595 0.77 HSD11B1 (0.46) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4501204 0.76 HSD11B1 (0.56) RORCATAD2CECR2ALDH1A1KDM4E
SCHEMBL4516607 0.76 HSD11B1 (0.44) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL4511944 0.76 HSD11B1 (0.52) ALDH1A1KDM4EHPGDSMN1; SMN2HSD11B1

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 RORC 1357/4885ATAD2 3348/4885CECR2 4669/4885

“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.