SCHEMBL3498514

SCHEMBL3498514

COC(=O)C1(CC(C)=O)CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
STS P08842 1/20 0.40
ACHE P22303 1/20 0.39
YAP1 P46937 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL3498570 0.92 MEN1 (0.42) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5928261 0.91 MEN1 (0.44) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5231362 0.91 MEN1 (0.44) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL19839528 0.88 JAK2 (0.42) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5230102 0.86 P2RX7 (0.46) MEN1KMT2AHTT
SCHEMBL17062178 0.85 MEN1 (0.40) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL17068195 0.85 TACR1 (0.44) MEN1KMT2ASTSACHEYAP1
SCHEMBL28854157 0.85 MEN1 (0.45) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5229398 0.85 MEN1 (0.43) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL5936892 0.82 HTT (0.46) MEN1KMT2AHTTNPC1RAB9A

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-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC MEN1 4260/4885KMT2A 3284/4885HTT 2622/4885

“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.