SCHEMBL4516895

SCHEMBL4516895

COc1ccccc1CC1CCN(C2CCOCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 1/20 0.47
ATM Q13315 10/20 0.47
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM3 P20309 1/20 0.41

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
SCHEMBL2989132 0.88 HSD11B1 (0.62) CYP2D6HSD11B1ATMLMNATSHR
SCHEMBL4516874 0.79 HSD11B1 (0.60) HSD11B1LMNATSHRALDH1A1TP53
SCHEMBL4511428 0.76 CYP2D6 (0.45) CYP2D6HSD11B1ALDH1A1
SCHEMBL4513213 0.75 HSD11B1 (0.52) HSD11B1ATMLMNATSHRALDH1A1
SCHEMBL4701056 0.74 HSD11B1 (0.57) HSD11B1LMNATSHRALDH1A1TP53
SCHEMBL4518200 0.74 KMT2A (0.44) CYP2D6ALDH1A1
SCHEMBL14364999 0.74 KMT2A (0.44) CYP2D6ALDH1A1
SCHEMBL4514002 0.74 HSD11B1 (0.60) HSD11B1LMNATSHRALDH1A1TP53
SCHEMBL4500218 0.74 CYP2D6 (0.47) CYP2D6
SCHEMBL14177611 0.74 CYP2D6 (0.47) CYP2D6

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 CYP2D6 469/4885HSD11B1 1/4885ATM 4420/4885

“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.