SCHEMBL4514945

SCHEMBL4514945

O=C1CCC(C(=O)Nc2ccc(CC3CCN(C4C5CC6CC4CC(O)(C6)C5)C3=O)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.53
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MALT1 Q9UDY8 2/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
FAAH O00519 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4505594 0.92 HSD11B1 (0.53) HSD11B1KMT2AMEN1MALT1MAPT
SCHEMBL13674498 0.92 HSD11B1 (0.53) HSD11B1KMT2AMEN1MALT1MAPT
Hydrochloric Acid SCHEMBL4512397 0.91 HSD11B1 (0.52) HSD11B1KMT2AMEN1MALT1MAPT
SCHEMBL4501204 0.88 HSD11B1 (0.56) HSD11B1EPHX2ALDH1A1L3MBTL1
SCHEMBL13674500 0.87 HSD11B1 (0.55) HSD11B1MAPTEPHX2HPGDLMNA
SCHEMBL4515676 0.86 HSD11B1 (0.47) HSD11B1KMT2AMEN1MAPTEPHX2
Hydrochloric Acid SCHEMBL4524662 0.86 HSD11B1 (0.54) HSD11B1MAPTEPHX2HPGDLMNA
SCHEMBL4501901 0.85 HSD11B1 (0.60) HSD11B1KMT2AEPHX2
SCHEMBL13674494 0.85 HSD11B1 (0.53) HSD11B1EPHX2
SCHEMBL4498702 0.85 HSD11B1 (0.48) HSD11B1EPHX2

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 1/4885KMT2A 2379/4885MEN1 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.