SCHEMBL4520653

SCHEMBL4520653

CC(=O)COc1cccc(CC2CCN(C3CCCCC3)C2=O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.34
P2RX7 Q99572 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL4523062 0.86 HSD11B1 (0.48) HSD11B1SIGMAR1ALDH1A1GAAPTGDR2
SCHEMBL4515325 0.85 HSD11B1 (0.49) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4501841 0.81 HSD11B1 (0.60) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL13674424 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4520662 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4507235 0.79 HSD11B1 (0.52) HSD11B1SIGMAR1ALDH1A1TP53GAA
SCHEMBL4509547 0.79 HSD11B1 (0.52) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4516874 0.76 HSD11B1 (0.60) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL2989132 0.76 HSD11B1 (0.62) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4523615 0.75 HSD11B1 (0.61) HSD11B1ALDH1A1TP53GAANPSR1

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 1 patent. 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

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 1/4885SIGMAR1 2409/4885ALDH1A1 51/4885

“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.