SCHEMBL4525741

SCHEMBL4525741

O=CC1CCC(N2CCC(Cc3ccc(Cl)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
P2RX7 Q99572 6/20 0.40
FFAR1 O14842 2/20 0.37
EPHX2 P34913 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
CCR3 P51677 1/20 0.34
IDO1 P14902 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL2996038 0.86 P2RX7 (0.44) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL2995839 0.86 P2RX7 (0.44) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL2990514 0.86 P2RX7 (0.44) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL3000826 0.85 HSD11B1 (0.56) HSD11B1P2RX7FFAR1EPHX2CNR1
SCHEMBL2991795 0.85 HSD11B1 (0.56) HSD11B1P2RX7FFAR1EPHX2CNR1
SCHEMBL2208659 0.84 HSD11B1 (0.43) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL2992277 0.84 P2RX7 (0.43) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL2996004 0.84 P2RX7 (0.43) HSD11B1P2RX7FFAR1EPHX2GPBAR1
SCHEMBL3880361 0.83 HSD11B1 (0.42) HSD11B1P2RX7FFAR1EPHX2MAPT
SCHEMBL3879672 0.83 CYP2A13 (0.46) HSD11B1P2RX7FFAR1EPHX2

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 1/4885P2RX7 3946/4885FFAR1 326/4885

“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.