SCHEMBL4515313

SCHEMBL4515313

COC(=O)c1ccccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 9/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 2/20 0.39
RAB9A P51151 1/20 0.39
CFD P00746 1/20 0.39
KLK7 P49862 1/20 0.39
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4523615 0.87 HSD11B1 (0.61) HSD11B1KDM4EALDH1A1KMT2ANPSR1
SCHEMBL4513628 0.86 HSD11B1 (0.57) HSD11B1KDM4EALDH1A1KMT2ACYP3A4
SCHEMBL4515969 0.86 HSD11B1 (0.66) HSD11B1KDM4EALDH1A1LMNAHSD17B10
SCHEMBL2989132 0.81 HSD11B1 (0.62) HSD11B1ALDH1A1TSHRLMNAKMT2A
SCHEMBL13674424 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1TSHRLMNAKMT2A
SCHEMBL4523789 0.80 HSD11B1 (0.57) HSD11B1ALDH1A1LMNAKMT2ACYP3A4
SCHEMBL4523763 0.80 HSD11B1 (0.57) HSD11B1KDM4EALDH1A1TSHRLMNA
SCHEMBL4518739 0.79 HSD11B1 (0.67) HSD11B1KDM4EALDH1A1TSHRLMNA
SCHEMBL3545737 0.79 HSD11B1 (0.67) HSD11B1ALDH1A1TSHRLMNAKMT2A
SCHEMBL2993380 0.79 HSD11B1 (0.67) HSD11B1KDM4EALDH1A1NPSR1SMN1; SMN2

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 HSD11B1 1/4885KDM4E 2703/4885ALDH1A1 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.