SCHEMBL4525516

SCHEMBL4525516

COC(=O)c1cccc(COc2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
PRKDC P78527 1/20 0.41
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
PIM1 P11309 1/20 0.38
PDGFRA P16234 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PRKX P51817 1/20 0.37
ACVR1 Q04771 1/20 0.37
GYS1 P13807 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4519921 0.91 RAB9A (0.39) MAOAMAOBPRKDCS1PR1S1PR5
SCHEMBL4511746 0.91 MRGPRX4 (0.46) MRGPRX4MAOAMAOBPRKDCGPR84
SCHEMBL4513996 0.88 MAOB (0.42) MRGPRX4MAOAMAOBS1PR1S1PR5
SCHEMBL4514405 0.85 S1PR1 (0.39) MAOAMAOBS1PR1S1PR5PRKX
SCHEMBL4508467 0.84 S1PR1 (0.37) MAOAMAOBS1PR1S1PR5PIM1
SCHEMBL4506660 0.83 HSD11B1 (0.53) MRGPRX4MAOAMAOBPRKDCS1PR1
SCHEMBL13674510 0.83 ALDH1A1 (0.38) ACVR1ALDH1A1SMN1; SMN2
SCHEMBL4510197 0.82 OPRM1 (0.39) ALDH1A1
SCHEMBL13674485 0.82 OPRM1 (0.39) ALDH1A1
SCHEMBL4509399 0.82 MCL1 (0.39) ACVR1ALDH1A1

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 4 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

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 2469/4885MAOA 1927/4885MAOB 2109/4885

“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.