SCHEMBL25183111

SCHEMBL25183111

CN(C)C(=O)CCCNCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4C Q9H3R0 17/20 0.41
KDM4A O75164 12/20 0.41
KDM5A P29375 6/20 0.41
KDM7A Q6ZMT4 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL31369528 0.94 ALDH1A1 (0.47) ALDH1A1CHRNB2CHRNB4CHRNA4KDM4C
SCHEMBL22915367 0.88 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4KDM4C
SCHEMBL288365 0.80 LMNA (0.53)
SCHEMBL11113527 0.78 LMNA (0.50)
SCHEMBL812501 0.78 ALDH1A1 (0.61) ALDH1A1CHRNB2CHRNB4CHRNA4
SCHEMBL6688889 0.78 ALDH1A1 (0.61) ALDH1A1CHRNB2CHRNB4CHRNA4PHF8
SCHEMBL4815884 0.76 TSHR (0.60) ALDH1A1KDM4CKDM4AKDM5AKDM7A
SCHEMBL21703159 0.76 TSHR (0.60) ALDH1A1KDM4CKDM4AKDM5AKDM7A
SCHEMBL20993533 0.76 TSHR (0.60) ALDH1A1KDM4CKDM4AKDM5AKDM7A
SCHEMBL3293381 0.75 ALDH1A1 (0.52) ALDH1A1CHRNB2CHRNB4CHRNA4KDM4C

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 6 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
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-09 US disclosed
EP-4316503-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-07 EP disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 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 (3 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ALDH1A1 4838/4885CHRNB2 4812/4885CHRNB4 4743/4885
US-20240148821-A1 PHARMACEUTICAL USE OF CYCLIC PEPTIDE COMPOUND VIP, IAPP, KRAS ALDH1A1 4861/4885CHRNB2 4601/4885CHRNB4 4355/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ALDH1A1 4472/4885CHRNB2 4641/4885CHRNB4 4733/4885

“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.