SCHEMBL4514002

SCHEMBL4514002

COc1cccc(OC)c1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.60
ABCB1 P08183 2/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 6/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 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
SCHEMBL4516365 0.92 HSD11B1 (0.54) HSD11B1ABCB1ALDH1A1TP53GAA
SCHEMBL2989132 0.86 HSD11B1 (0.62) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4698098 0.85 HSD11B1 (0.55) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4513213 0.83 HSD11B1 (0.52) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3000390 0.82 HSD11B1 (0.51) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3545096 0.81 HSD11B1 (0.66) HSD11B1ABCB1ALDH1A1TP53TSHR
SCHEMBL2994425 0.80 HSD11B1 (0.41) HSD11B1TP53LMNAMEN1KMT2A
SCHEMBL2994420 0.80 HSD11B1 (0.41) HSD11B1TP53LMNAMEN1KMT2A
SCHEMBL4513738 0.80 HSD11B1 (0.52) HSD11B1ALDH1A1TP53GAATDP1
SCHEMBL5541309 0.80 HSD11B1 (0.49) 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 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 1/4885ABCB1 571/4885ALDH1A1 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.