SCHEMBL4517138

SCHEMBL4517138

O=C1C(Cc2ccc(C(F)(F)F)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
DAO P14920 1/20 0.40
CNR1 P21554 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
DDR1 Q08345 1/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL4500855 0.90 HSD11B1 (0.40) HSD11B1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4513605 0.87 FFAR4 (0.40) HSD11B1KMT2AALDH1A1DAO
SCHEMBL2991795 0.85 HSD11B1 (0.56) HSD11B1CNR1P2RX7
SCHEMBL3000826 0.85 HSD11B1 (0.56) HSD11B1CNR1P2RX7
SCHEMBL5541263 0.85 PIM1 (0.38) HSD11B1DAOP2RX7
SCHEMBL3555104 0.84 HSD11B1 (0.55) HSD11B1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4504660 0.84 HSD11B1 (0.36) HSD11B1KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL4526922 0.84 HSD11B1 (0.47) HSD11B1ALDH1A1
SCHEMBL4512444 0.83 HSD11B1 (0.54) HSD11B1ALDH1A1P2RX7
SCHEMBL2990822 0.83 HSD11B1 (0.54) HSD11B1KMT2AALDH1A1NPSR1MAPT

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.