SCHEMBL4513448

SCHEMBL4513448

O=C(COc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)NCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
MAPT P10636 2/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL4514300 0.90 HSD11B1 (0.52) HSD11B1MAPTALDH1A1HPGDGAA
SCHEMBL4502708 0.90 HSD11B1 (0.59) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL4515193 0.89 HSD11B1 (0.51) HSD11B1ALDH1A1HPGDGAAP2RX7
SCHEMBL5541273 0.88 HSD11B1 (0.49) HSD11B1ALDH1A1GAAEPHX2P2RX7
SCHEMBL4524136 0.88 HSD11B1 (0.50) HSD11B1KMT2AALDH1A1HPGDGAA
SCHEMBL4501264 0.87 HSD11B1 (0.50) HSD11B1MEN1KMT2AALDH1A1HPGD
SCHEMBL4514029 0.87 HSD11B1 (0.49) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4515610 0.87 HSD11B1 (0.52) HSD11B1KMT2AALDH1A1GAA
SCHEMBL4518942 0.86 HSD11B1 (0.50) HSD11B1MEN1KMT2AALDH1A1GAA
SCHEMBL4516875 0.86 HSD11B1 (0.47) HSD11B1MAPTKMT2AALDH1A1HPGD

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 1/4885MAPT 4692/4885MEN1 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.