SCHEMBL3495837

SCHEMBL3495837

CC(C)N1C(=O)CC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccn5)sc4N)CC3)C2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.50
ACACA Q13085 17/20 0.50
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3498057 0.91 ACACB (0.47) ACACBACACACYP2C9
SCHEMBL3498420 0.90 ACACB (0.53) ACACBACACACYP2C9
SCHEMBL3497216 0.89 ACACB (0.44) ACACBACACACYP2C9
SCHEMBL4766029 0.89 ACACB (0.54) ACACBACACACYP2C9
SCHEMBL3498667 0.89 ACACB (0.43) ACACBACACACYP2C9
SCHEMBL3496515 0.87 ACACB (0.46) ACACBACACACYP2C9
SCHEMBL13312717 0.86 ACACB (0.49) ACACBACACACYP2C9
SCHEMBL3497590 0.85 ACACB (0.49) ACACBACACACYP2C9
SCHEMBL3498183 0.83 ACACB (0.63) ACACBACACACYP2C9
SCHEMBL3495619 0.80 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 2 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

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 1/4885CYP2C9 1717/4885

“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.