SCHEMBL4500855

SCHEMBL4500855

O=C1CCC(N2CCC(Cc3ccc(C(F)(F)F)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.40
DAO P14920 1/20 0.40
CYP26A1 O43174 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
P2RX7 Q99572 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
DDR1 Q08345 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PIM1 P11309 1/20 0.34
HTR2A P28223 2/20 0.33

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
SCHEMBL4517138 0.90 HSD11B1 (0.52) HSD11B1DAOALDH1A1KMT2AMEN1
SCHEMBL2208659 0.86 HSD11B1 (0.43) HSD11B1P2RX7
SCHEMBL4513605 0.86 FFAR4 (0.40) HSD11B1DAOALDH1A1KMT2APOLB
SCHEMBL2206955 0.85 P2RX7 (0.43) HSD11B1ALDH1A1KMT2AMEN1P2RX7
SCHEMBL5541263 0.84 PIM1 (0.38) HSD11B1DAOCYP26A1P2RX7FFAR4
SCHEMBL4513997 0.84 HSD11B1 (0.41) HSD11B1CYP26A1P2RX7
SCHEMBL2208101 0.84 HSD11B1 (0.41) HSD11B1P2RX7
SCHEMBL12432122 0.84 HSD11B1 (0.41) HSD11B1KMT2AMEN1P2RX7
SCHEMBL4511421 0.84 HSD11B1 (0.41) HSD11B1CYP26A1ALDH1A1POLBP2RX7
SCHEMBL4504660 0.83 HSD11B1 (0.36) HSD11B1DAOALDH1A1KMT2AMEN1

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 5 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
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 1/4885DAO 1576/4885CYP26A1 66/4885

“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.