SCHEMBL4513996

SCHEMBL4513996

CC1(O)CCC(N2CCC(Cc3ccc(OCc4cccc(CO)c4)cc3Cl)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.42
MAOA P21397 5/20 0.42
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
HSD11B1 P28845 1/20 0.37
CYP2C9 P11712 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL4508467 0.92 S1PR1 (0.37) MAOBMAOAS1PR1S1PR5PIM1
SCHEMBL4525516 0.88 MRGPRX4 (0.44) MAOBMAOAS1PR1S1PR5PIM1
SCHEMBL13674513 0.87 HSD11B1 (0.40) S1PR1ACVR1HSD11B1
SCHEMBL14365300 0.86 MAOB (0.39) MAOBMAOAS1PR1S1PR5PIM1
SCHEMBL4517259 0.85 HSD11B1 (0.40) ACVR1HSD11B1CYP2C9ADRA1AHRH1
SCHEMBL13674534 0.85 HSD11B1 (0.40) ACVR1HSD11B1CYP2C9ADRA1AHRH1
SCHEMBL4514955 0.85 S1PR1 (0.40) MAOBMAOAS1PR1ACVR1HSD11B1
SCHEMBL4514405 0.85 S1PR1 (0.39) MAOBMAOAS1PR1S1PR5PRKX
SCHEMBL5547531 0.84 HSD11B1 (0.40) MAOBMAOAS1PR1S1PR5PIM1
SCHEMBL13674485 0.84 OPRM1 (0.39) HSD11B1

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 2 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
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 MAOB 2109/4885MAOA 1927/4885S1PR1 521/4885

“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.