SCHEMBL4523529

SCHEMBL4523529

CC1(N2CCC(Cc3ccc(OCC(=O)NCc4ccc(Cl)cc4Cl)cc3Cl)C2=O)CCC(O)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.42
EPHX2 P34913 7/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2J2 P51589 1/20 0.39

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
SCHEMBL2988985 0.85 P2RX7 (0.40) P2RX7EPHX2
SCHEMBL5543837 0.83 P2RX7 (0.43) P2RX7EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4515453 0.78 S1PR1 (0.38) P2RX7
SCHEMBL4523525 0.78 P2RX7 (0.44) P2RX7EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4513747 0.78 MMP13 (0.38) P2RX7
SCHEMBL5541273 0.76 HSD11B1 (0.49) P2RX7EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL2993186 0.76 P2RX7 (0.40) P2RX7
SCHEMBL4510565 0.75 S1PR1 (0.39)
SCHEMBL2989024 0.75 P2RX7 (0.41) P2RX7
SCHEMBL4513610 0.74 FFAR4 (0.37) P2RX7

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 1 patent. 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

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 P2RX7 3946/4885EPHX2 670/4885CYP2C9 597/4885

“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.