SCHEMBL2553370

SCHEMBL2553370

CC(=O)NC(C)CCC1CCN(c2nc3ccc(O)cc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 5/20 0.51
ACACB O00763 5/20 0.47
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
HDAC6 Q9UBN7 2/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PTGES O14684 4/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL2549820 0.86 ACACA (0.65) ACACAACACB
SCHEMBL2551192 0.86 ACACA (0.65) ACACAACACB
SCHEMBL2552816 0.80 ACACB (0.52) ACACAACACB
SCHEMBL15641630 0.76 ACACA (0.46) ACACAACACBLMNASMN1; SMN2HTT
SCHEMBL16735774 0.75 ACACA (0.67) ACACAACACB
SCHEMBL2548680 0.75 ACACA (0.58) ACACAACACB
SCHEMBL2546441 0.74 ACACA (0.62) ACACAACACB
SCHEMBL2548316 0.73 ACACB (0.58) ACACAACACB
SCHEMBL21815030 0.73 MGLL (0.48) LMNASMN1; SMN2HTTPTGESMAPT
SCHEMBL2546952 0.72 ACACA (0.69) ACACAACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US 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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ACACA 1/4885ACACB 3/4885LMNA 1054/4885

“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.