SCHEMBL3499490

SCHEMBL3499490

CC1(C)CC2(CN(C3CCN(C(=O)c4cc(-c5ccccc5)sc4N)CC3)CCO2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.48
ACACA Q13085 10/20 0.43
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3497865 0.88 CHEK1 (0.53) ACACBACACACHEK1IKBKB
SCHEMBL4723681 0.88 ACACB (0.46) ACACBACACACHEK1
SCHEMBL3498467 0.86 ACACB (0.42) ACACBACACACHEK1L3MBTL3L3MBTL1
SCHEMBL3495844 0.85 ACACB (0.67) ACACBACACA
SCHEMBL13312530 0.84 ACACB (0.42) ACACBACACACHEK1
SCHEMBL3495120 0.80 ACACB (0.72) ACACBACACA
SCHEMBL3499039 0.77 ACACB (0.61) ACACBACACA
SCHEMBL3497208 0.77 ACACB (0.70) ACACBACACA
SCHEMBL3495496 0.77 ACACB (0.61) ACACBACACA
SCHEMBL3497781 0.77 ACACB (0.60) ACACBACACA

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 3 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
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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 ACACB 6/4885ACACA 1/4885MEN1 4260/4885

“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.