SCHEMBL3493554

SCHEMBL3493554

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(CCC(=O)OCc1ccccc1)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GPR119 Q8TDV5 5/20 0.43
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
STS P08842 1/20 0.37
YAP1 P46937 1/20 0.37

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
SCHEMBL3493469 0.91 MEN1 (0.45) KMT2AMEN1GPR119TACR1OPRD1
SCHEMBL3494873 0.78 SMN1; SMN2 (0.41) KMT2AGPR119NPSR1KDM4EALDH1A1
SCHEMBL3493551 0.77 ACACB (0.40) KMT2AMEN1MAPTNPSR1KDM4E
SCHEMBL3492937 0.73 MEN1 (0.51) KMT2AMEN1GPR119TACR1OPRD1
SCHEMBL23460593 0.73 GPR119 (0.43) KMT2AMEN1GPR119TACR1OPRD1
SCHEMBL1086688 0.73 OPRD1 (0.50) GPR119TACR1OPRD1OPRK1ALDH1A1
SCHEMBL31377204 0.73 HDAC1 (0.45) KMT2AMEN1ALDH1A1HTT
SCHEMBL30121349 0.73 MEN1 (0.54) KMT2AMEN1GPR119TACR1OPRD1
SCHEMBL3494608 0.73 KMT2A (0.55) KMT2AGPR119KDM4EALDH1A1
SCHEMBL23776305 0.72 OPRD1 (0.51) KMT2AMEN1GPR119TACR1OPRD1

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-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KMT2A 1419/4885MEN1 1811/4885GPR119 25/4885

“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.