SCHEMBL3498057

SCHEMBL3498057

CN1C(=O)CC2(CCCN(C3CCN(C(=O)c4cc(-c5ccccn5)sc4N)CC3)C2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.47
ACACA Q13085 16/20 0.47
CYP2C9 P11712 1/20 0.43
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
IKBKG Q9Y6K9 1/20 0.38

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
SCHEMBL3495837 0.91 ACACB (0.50) ACACBACACACYP2C9
SCHEMBL3497216 0.91 ACACB (0.44) ACACBACACACYP2C9IKBKBCHUK
SCHEMBL3498667 0.90 ACACB (0.43) ACACBACACACYP2C9IKBKBCHUK
SCHEMBL4766278 0.89 ACACB (0.48) ACACBACACACYP2C9
SCHEMBL3498033 0.86 ACACB (0.41) ACACBACACACYP2C9IKBKBCHUK
SCHEMBL3494957 0.86 ACACB (0.59) ACACBACACA
SCHEMBL13312732 0.85 ACACB (0.46) ACACBACACACYP2C9IKBKBCHUK
SCHEMBL3498183 0.85 ACACB (0.63) ACACBACACACYP2C9
SCHEMBL3498420 0.81 ACACB (0.53) ACACBACACACYP2C9
SCHEMBL3497215 0.81 ACACB (0.52) ACACBACACACYP2C9

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.