SCHEMBL4523615

SCHEMBL4523615

CC(=O)c1ccccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.61
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.38
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 1/20 0.37
HTT P42858 1/20 0.37
ESR2 Q92731 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL4515969 0.89 HSD11B1 (0.66) HSD11B1ALDH1A1KDM4EPOLBPARP1
SCHEMBL4515313 0.87 HSD11B1 (0.57) HSD11B1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4513628 0.87 HSD11B1 (0.57) HSD11B1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4523789 0.82 HSD11B1 (0.57) HSD11B1ALDH1A1HTTKMT2ATP53
SCHEMBL4523763 0.82 HSD11B1 (0.57) HSD11B1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL4518739 0.82 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EHTTKMT2A
SCHEMBL3545737 0.82 HSD11B1 (0.67) HSD11B1ALDH1A1ACHEKMT2AMEN1
SCHEMBL2993380 0.82 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EPOLBTP53
SCHEMBL4517944 0.81 HSD11B1 (0.56) HSD11B1ALDH1A1KDM4EKMT2ATP53
SCHEMBL3543212 0.81 HSD11B1 (0.68) HSD11B1ALDH1A1KDM4EPOLBKMT2A

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 4 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

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 1/4885ALDH1A1 51/4885KDM4E 2703/4885

“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.