SCHEMBL13675693

SCHEMBL13675693

Cc1cc(N(C)C(=O)OC(C)(C)C)ccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
BRD4 O60885 2/20 0.34
MLNR O43193 5/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CREBBP Q92793 1/20 0.32
FPR2 P25090 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL13674425 0.90 HSD11B1 (0.42) HSD11B1BRD4MLNRITGB3ITGA2B
SCHEMBL13674483 0.78 ALDH1A1 (0.33) HSD11B1BRD4MLNRL3MBTL1KMT2A
SCHEMBL4507389 0.76 HSD11B1 (0.49) HSD11B1MLNRITGB3ITGA2BL3MBTL1
SCHEMBL4525978 0.76 HSD11B1 (0.46) HSD11B1MLNRITGB3ITGA2BL3MBTL1
SCHEMBL3545737 0.74 HSD11B1 (0.67) HSD11B1TP53KMT2AALDH1A1
SCHEMBL4524837 0.74 HSD11B1 (0.44) HSD11B1KMT2AALDH1A1
SCHEMBL13674466 0.73 KDM4E (0.39) BRD4KMT2ACREBBPALDH1A1
SCHEMBL4509889 0.72 HSD11B1 (0.51) HSD11B1TP53L3MBTL1KMT2AALDH1A1
SCHEMBL2990527 0.72 HSD11B1 (0.42) HSD11B1TP53FPR2ALDH1A1
SCHEMBL4517944 0.71 HSD11B1 (0.56) HSD11B1TP53KMT2AALDH1A1

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 HSD11B1 1/4885BRD4 3776/4885MLNR 4149/4885

“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.