SCHEMBL4514972

SCHEMBL4514972

CC(C)OCCOc1ccc(CC2CCN(C3CCCCC3)C2=O)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
HPGD P15428 4/20 0.40
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
FFAR1 O14842 1/20 0.33
BACE1 P56817 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
P2RX7 Q99572 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL4514386 0.89 HSD11B1 (0.46) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL4523794 0.88 HPGD (0.39) HSD11B1HPGDKDM4EFFAR1BACE1
SCHEMBL4516252 0.87 HSD11B1 (0.55) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL13675721 0.86 HSD11B1 (0.44) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL13674511 0.86 HSD11B1 (0.47) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL4525800 0.86 HSD11B1 (0.47) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL13675458 0.85 HSD11B1 (0.45) HSD11B1HPGDTP53KDM4ELMNA
SCHEMBL4520465 0.85 HPGD (0.48) HSD11B1HPGDTP53KDM4EHCRTR1
SCHEMBL4521181 0.85 HSD11B1 (0.46) HSD11B1HPGDTP53KDM4ELMNA
Hydrochloric Acid SCHEMBL4514348 0.85 HSD11B1 (0.46) HSD11B1HPGDTP53KDM4ELMNA

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 1/4885HPGD 63/4885TP53 3134/4885

“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.