SCHEMBL4511746

SCHEMBL4511746

COC(=O)c1cccc(COc2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 7/20 0.46
HSD11B1 P28845 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PRKDC P78527 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4500220 0.91 MRGPRX4 (0.53) MRGPRX4HSD11B1MAOAMAOBNPC1
SCHEMBL4525507 0.91 HSD11B1 (0.42) HSD11B1PRKDCNPC1RAB9ASMN1; SMN2
SCHEMBL4525516 0.91 MRGPRX4 (0.44) MRGPRX4MAOAMAOBPRKDCNPC1
SCHEMBL4697436 0.87 HSD11B1 (0.48) MRGPRX4HSD11B1PRKDCNPC1RAB9A
SCHEMBL4519338 0.85 HSD11B1 (0.60) HSD11B1MAOAMAOBCYP2C9ADRA1A
SCHEMBL2985330 0.85 ALDH1A1 (0.49) HSD11B1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL13266359 0.85 HSD11B1 (0.44) HSD11B1SMN1; SMN2ALDH1A1
SCHEMBL4500417 0.83 HSD11B1 (0.47) HSD11B1NPC1RAB9ACYP2C9ADRA1A
SCHEMBL4506660 0.83 HSD11B1 (0.53) MRGPRX4HSD11B1MAOAMAOBPRKDC
SCHEMBL13674464 0.82 HSD11B1 (0.44) HSD11B1NPC1RAB9ASMN1; SMN2ALDH1A1

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 MRGPRX4 2469/4885HSD11B1 1/4885MAOA 1927/4885

“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.