SCHEMBL4291848

SCHEMBL4291848

CCNC(=O)Nc1sc2c(c1C(=O)N1CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC1)CCCC2=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.49
ACACA Q13085 17/20 0.49
ALDH1A1 P00352 2/20 0.43
TSHR P16473 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
SCHEMBL4300442 0.82 ACACB (0.53) ACACBACACAALDH1A1TSHR
SCHEMBL13609490 0.81 ACACB (0.76) ACACBACACA
Hydrochloric Acid SCHEMBL4300423 0.80 ACACB (0.75) ACACBACACA
SCHEMBL3497934 0.77 ACACB (0.70) ACACBACACA
SCHEMBL4294377 0.75 ACACB (0.52) ACACBACACA
SCHEMBL3497283 0.75 ACACB (0.53) ACACBACACA
SCHEMBL3498973 0.74 ACACB (0.58) ACACBACACA
SCHEMBL4294116 0.74 ACACB (0.51) ACACBACACA
SCHEMBL3495053 0.74 ACACB (0.53) ACACBACACA
SCHEMBL4289538 0.74 ACACB (0.80) 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 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 12/4885ALDH1A1 1550/4885

“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.