SCHEMBL4292053

SCHEMBL4292053

CCN(CC)C(=O)C1CCCN(C2CCN(C(=O)c3c(N)sc4ccccc34)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.69
ACACA Q13085 15/20 0.69
HPGD P15428 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL13980048 0.89 ACACB (0.54) ACACBACACA
SCHEMBL4295257 0.85 ACACB (0.52) ACACBACACA
SCHEMBL4291636 0.84 ACACB (0.70) ACACBACACA
SCHEMBL4296845 0.84 ACACB (0.57) ACACBACACA
SCHEMBL4305724 0.83 ACACB (0.56) ACACBACACA
SCHEMBL977942 0.82 ACACB (1.00) ACACBACACAHPGDKDM4ELMNA
SCHEMBL3465044 0.82 ACACB (1.00) ACACBACACAHPGDKDM4ELMNA
SCHEMBL3462988 0.82 ACACB (1.00) ACACBACACAHPGDKDM4ELMNA
SCHEMBL4298140 0.82 ACACB (0.56) ACACBACACA
SCHEMBL6182473 0.81 ACACB (0.80) ACACBACACAHPGDKDM4ELMNA

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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2009011-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-12-31 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-20090281097-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TNNC1, CPT1B, TNNI3 ACACB 23/4885ACACA 12/4885HPGD 595/4885

“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.