SCHEMBL4501204

SCHEMBL4501204

CC(=O)Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.56
ATAD2 Q6PL18 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
EPHX2 P34913 2/20 0.37
RORC P51449 1/20 0.36
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL13674500 0.90 HSD11B1 (0.55) HSD11B1EPHX2
Hydrochloric Acid SCHEMBL4524662 0.89 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL4501901 0.88 HSD11B1 (0.60) HSD11B1EPHX2NPC1
SCHEMBL4514945 0.88 HSD11B1 (0.53) HSD11B1EPHX2L3MBTL1ALDH1A1
SCHEMBL13674498 0.88 HSD11B1 (0.53) HSD11B1EPHX2ALDH1A1
SCHEMBL4505594 0.88 HSD11B1 (0.53) HSD11B1EPHX2L3MBTL1ALDH1A1
SCHEMBL13674494 0.88 HSD11B1 (0.53) HSD11B1EPHX2
SCHEMBL13675599 0.88 HSD11B1 (0.56) HSD11B1
Hydrochloric Acid SCHEMBL4512397 0.88 HSD11B1 (0.52) HSD11B1EPHX2ALDH1A1
SCHEMBL4511293 0.88 HSD11B1 (0.54) HSD11B1EPHX2ALDH1A1

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 1/4885ATAD2 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.