SCHEMBL31369564

SCHEMBL31369564

CN[C@@H](CCCCC(=O)N(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4C Q9H3R0 7/20 0.39
▸ KDM4A O75164 6/20 0.39
▸ PHF8 Q9UPP1 2/20 0.39
▸ KDM2A Q9Y2K7 2/20 0.39
▸ NOD1 Q9Y239 3/20 0.38
▸ FOLH1 Q04609 4/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL25355432 0.95 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA4ALDH1A1KDM4C
SCHEMBL25355433 0.95 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA4ALDH1A1KDM4C
SCHEMBL21837505 0.87 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA4ALDH1A1NOD1
SCHEMBL21837502 0.87 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA4ALDH1A1NOD1
SCHEMBL31642013 0.81 FOLH1 (0.47) ALDH1A1NOD1FOLH1
SCHEMBL31370120 0.81 FOLH1 (0.47) ALDH1A1NOD1FOLH1
SCHEMBL1976647 0.79 FFAR4 (0.48) ALDH1A1FOLH1
SCHEMBL20732425 0.78 KDM4A (0.40) ALDH1A1KDM4CKDM4APHF8KDM2A
SCHEMBL805213 0.78 KDM4A (0.40) ALDH1A1KDM4CKDM4APHF8KDM2A
SCHEMBL1082586 0.76 NOD1 (0.43) ALDH1A1NOD1FOLH1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CHRNB2 4641/4885CHRNB4 4733/4885CHRNA4 4759/4885

“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.

Send feedback