SCHEMBL4501264

SCHEMBL4501264

O=C(COc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)NCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.50
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.36
ADORA2A P29274 2/20 0.35
ADORA2B P29275 2/20 0.35
SGMS1 Q86VZ5 1/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALOX12 P18054 1/20 0.35
FAAH O00519 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD11B2 P80365 1/20 0.34

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
SCHEMBL4505009 0.94 HSD11B1 (0.49) HSD11B1ALDH1A1MEN1THRBHTT
SCHEMBL4502708 0.94 HSD11B1 (0.59) HSD11B1ALDH1A1MEN1HTTKMT2A
SCHEMBL5541273 0.93 HSD11B1 (0.49) HSD11B1ALDH1A1GAA
SCHEMBL4524316 0.93 HSD11B1 (0.47) HSD11B1ALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4515610 0.92 HSD11B1 (0.52) HSD11B1ALDH1A1HTTKMT2AL3MBTL1
SCHEMBL4515193 0.90 HSD11B1 (0.51) HSD11B1ALDH1A1HTTGAAHPGD
SCHEMBL4517036 0.90 HSD11B1 (0.46) HSD11B1ALDH1A1MEN1HTTKMT2A
SCHEMBL4514300 0.90 HSD11B1 (0.52) HSD11B1ALDH1A1THRBGAAHPGD
SCHEMBL4524136 0.89 HSD11B1 (0.50) HSD11B1ALDH1A1HTTKMT2AGAA
SCHEMBL4518942 0.89 HSD11B1 (0.50) HSD11B1ALDH1A1MEN1KMT2AGAA

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 4 patents. 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
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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 1/4885ALDH1A1 51/4885MEN1 1254/4885

“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.