SCHEMBL4500936

SCHEMBL4500936

O=C1C(Cc2ccc(Cl)cc2Cl)CCN1[C@@H]1C[C@H]2CC[C@@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
EPHX2 P34913 5/20 0.37
CXCR3 P49682 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
P2RX7 Q99572 3/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
FFAR1 O14842 2/20 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
SCHEMBL4500942 1.00 HSD11B1 (0.41) HSD11B1EPHX2CXCR3HCAR1P2RX7
SCHEMBL3880991 1.00 HSD11B1 (0.41) HSD11B1EPHX2CXCR3HCAR1P2RX7
SCHEMBL5121910 0.85 HSD11B1 (0.59) HSD11B1EPHX2CXCR3FFAR1
SCHEMBL3880099 0.82 P2RX7 (0.37) HSD11B1P2RX7
SCHEMBL2993740 0.81 SIGMAR1 (0.42) HSD11B1CXCR3P2RX7ALDH1A1
SCHEMBL2993742 0.81 SIGMAR1 (0.42) HSD11B1CXCR3P2RX7ALDH1A1
SCHEMBL2993737 0.81 SIGMAR1 (0.42) HSD11B1CXCR3P2RX7ALDH1A1
Hydrochloric Acid SCHEMBL2999277 0.81 P2RX7 (0.37) HSD11B1P2RX7
SCHEMBL4513611 0.80 HSD11B1 (0.46) HSD11B1HCAR1
SCHEMBL4513608 0.80 HSD11B1 (0.46) HSD11B1HCAR1

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 3 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
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 1/4885EPHX2 670/4885CXCR3 3585/4885

“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.