SCHEMBL23612995

SCHEMBL23612995

CCC(=O)N(C)[C@H](C)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
NPY5R Q15761 1/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30

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
SCHEMBL8305409 1.00 ACACB (0.41) ACACBNPY5RCHRNB2CHRNB4CHRNA4
SCHEMBL23612991 1.00 ACACB (0.41) ACACBNPY5RCHRNB2CHRNB4CHRNA4
SCHEMBL16621807 0.83 ACACB (0.41) ACACBCHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL18611266 0.83 ACACB (0.41) ACACBCHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL26343524 0.81 NPY5R (0.35) ACACBNPY5RCHRNB2CHRNB4CHRNA4
SCHEMBL5204440 0.81 NPY5R (0.35) ACACBNPY5RCHRNB2CHRNB4CHRNA4
SCHEMBL740201 0.79
SCHEMBL1835719 0.78 ACACB (0.38) ACACBCHRNB2CHRNB4CHRNA4
SCHEMBL24654932 0.78 CHRNB2 (0.34) NPY5RCHRNB2CHRNB4CHRNA4ALDH1A1
SCHEMBL5205889 0.78 CHRNB2 (0.34) NPY5RCHRNB2CHRNB4CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 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-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ACACB 3025/4885NPY5R 1510/4885CHRNB2 4194/4885

“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.