SCHEMBL4514766

SCHEMBL4514766

O=C1C(Cc2ccc(Oc3ccccc3)cc2Cl)CCN1C1CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CACNB4 O00305 1/20 0.33
CACNA1A O00555 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNG3 O60359 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNG7 P62955 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNG1 Q06432 1/20 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
SCHEMBL2206168 0.89 ALDH1A1 (0.40) HSD11B1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4525933 0.86 HSD11B1 (0.41) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL3002570 0.85 HSD11B1 (0.57) HSD11B1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4523771 0.84 HSD11B1 (0.45) HSD11B1OPRM1OPRD1OPRK1ROCK2
SCHEMBL4504298 0.84 ALDH1A1 (0.34) HSD11B1GRIN1GRIN2BOPRM1OPRD1
SCHEMBL2235214 0.84 ATM (0.42) HSD11B1ALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL4500714 0.84 HSD11B1 (0.45) HSD11B1ALDH1A1CACNB4CACNA1ACACNA1G
SCHEMBL2209243 0.83 ALDH1A1 (0.46) HSD11B1ALDH1A1GAAMEN1CYP3A4
SCHEMBL2210485 0.82 SMN1; SMN2 (0.41) HSD11B1OPRM1OPRK1ALDH1A1CACNB4
SCHEMBL4515408 0.82 HSD11B1 (0.37) HSD11B1OPRK1ALDH1A1CACNB4CACNA1A

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 2 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
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 1/4885GRIN1 1622/4885GRIN2B 3812/4885

“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.