SCHEMBL3498308

SCHEMBL3498308

CCN1C(=O)OC2(CCCN(C3CCN(C(=O)c4cc(-c5cccnc5)sc4N)CC3)C2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.55
ACACA Q13085 17/20 0.55
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3497656 0.92 ACACB (0.60) ACACBACACA
SCHEMBL4723901 0.89 ACACB (0.56) ACACBACACACYP2C9
SCHEMBL3498774 0.88 ACACB (0.57) ACACBACACACYP2C9
SCHEMBL3498185 0.87 ACACB (0.65) ACACBACACA
SCHEMBL3497872 0.87 ACACB (0.49) ACACBACACACYP2C9
SCHEMBL13312635 0.86 ACACB (0.53) ACACBACACACYP2C9
SCHEMBL3499039 0.81 ACACB (0.61) ACACBACACACYP2C9
SCHEMBL3498923 0.81 ACACB (0.70) ACACBACACA
SCHEMBL3497829 0.81 ACACB (0.62) ACACBACACA
SCHEMBL14222105 0.79 CYP2C9 (0.43) 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.