SCHEMBL4517546

SCHEMBL4517546

NC(=O)C1CCC(N2CCC(Cc3ccc(Cl)cc3Cl)C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
P2RX7 Q99572 7/20 0.46
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.39
FFAR1 O14842 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL14365321 1.00 EPHX2 (0.51) EPHX2P2RX7HSD11B1LMNAFFAR1
SCHEMBL4516738 0.90 EPHX2 (0.50) EPHX2P2RX7HSD11B1FFAR1
SCHEMBL2995839 0.86 P2RX7 (0.44) EPHX2P2RX7HSD11B1FFAR1GPBAR1
SCHEMBL2996038 0.86 P2RX7 (0.44) EPHX2P2RX7HSD11B1FFAR1GPBAR1
SCHEMBL2990514 0.86 P2RX7 (0.44) EPHX2P2RX7HSD11B1FFAR1GPBAR1
SCHEMBL4523656 0.86 P2RX7 (0.46) EPHX2P2RX7ALDH1A1MAPTL3MBTL1
SCHEMBL2992277 0.84 P2RX7 (0.43) EPHX2P2RX7HSD11B1FFAR1GPBAR1
SCHEMBL2996004 0.84 P2RX7 (0.43) EPHX2P2RX7HSD11B1FFAR1GPBAR1
SCHEMBL3000826 0.83 HSD11B1 (0.56) EPHX2P2RX7HSD11B1FFAR1
SCHEMBL2991795 0.83 HSD11B1 (0.56) EPHX2P2RX7HSD11B1FFAR1

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 EPHX2 670/4885P2RX7 3946/4885HSD11B1 1/4885

“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.