SCHEMBL3496473

SCHEMBL3496473

CN1C(=O)OC2(CCCN(C3CCN(C(=O)OC(C)(C)C)CC3)C2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
BACE1 P56817 3/20 0.39
CTSD P07339 2/20 0.39
HPGD P15428 1/20 0.39
CTSE P14091 1/20 0.39
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCD Q05655 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3496737 0.89 HRH3 (0.42) HRH3ACACBACACAKDM4EMAPT
SCHEMBL3497241 0.88 ACACB (0.53) HRH3ACACBACACAKDM4EMAPT
SCHEMBL3501523 0.87 ACACB (0.48) HRH3ACACBACACAKDM4EMAPT
SCHEMBL3494921 0.87 ACACB (0.48) HRH3ACACBACACAKDM4EMAPT
SCHEMBL13312102 0.79 ACACB (0.35) HRH3ACACBACACA
SCHEMBL3498855 0.78 HRH3 (0.44) HRH3ACACBACACAKDM4EMAPT
Hydrochloric Acid SCHEMBL3498400 0.78 ACACB (0.35) HRH3ACACBACACA
SCHEMBL3498966 0.78 ACACB (0.46) HRH3ACACBACACAKDM4EMAPT
SCHEMBL3498060 0.76 ACACB (0.42) HRH3ACACBACACAKDM4EMAPT
SCHEMBL3494298 0.76 ACACB (0.58) HRH3ACACBACACA

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 HRH3 4836/4885ACACB 6/4885ACACA 1/4885

“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.