SCHEMBL20565865

SCHEMBL20565865

C=CCN(CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 3/20 0.34
THRB P10828 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PLG P00747 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC6A2 P23975 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MC4R P32245 3/20 0.33
MC5R P33032 3/20 0.33
MC3R P41968 3/20 0.33
GABRR1 P24046 3/20 0.32
GABRR2 P28476 3/20 0.32
GABRR3 A8MPY1 2/20 0.32

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
Hydrochloric Acid SCHEMBL2152784 0.96 ALDH1A1 (0.41) ALDH1A1CYP2D6NFKB1BLMNPSR1
SCHEMBL2044848 0.88 ALDH1A1 (0.50) ALDH1A1LMNAKMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL2152108 0.84 ALDH1A1 (0.42) ALDH1A1BLMNPSR1LMNAKMT2A
SCHEMBL2159395 0.81 ZDHHC20 (0.46) ALDH1A1TSHR
SCHEMBL15103224 0.81 ABCC4 (0.48) ALDH1A1LMNATSHR
SCHEMBL15941291 0.80 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMEN1CYP1A2
SCHEMBL31040409 0.79 LMNA (0.48) ALDH1A1CYP2D6NFKB1BLMNPSR1
SCHEMBL13692258 0.79 NFKB1 (0.44) ALDH1A1CYP2D6NFKB1BLMNPSR1
Hydrochloric Acid SCHEMBL11264305 0.78 ZDHHC20 (0.47) ALDH1A1KMT2AMEN1ALOX15TSHR
Hydrochloric Acid SCHEMBL25202141 0.77 BLM (0.46) ALDH1A1CYP2D6NFKB1BLMNPSR1

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-11091517-B2 Peptide derivative and pharmaceutical composition containing same TOKUSHIMA UNIVERSITY (JP) 2021-08-17 US disclosed
US-20200255474-A1 PEPTIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME TOKUSHIMA UNIVERSITY (JP) 2020-08-13 US disclosed
US-10669310-B2 Peptide for cancer treatment and pharmaceutical composition containing same TOKUSHIMA UNIVERSITY (JP) 2020-06-02 US disclosed
EP-3656783-A1 PEPTIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Tokushima University (JP) 2020-05-27 EP disclosed
US-20190023739-A1 PEPTIDE FOR CANCER TREATMENT AND PHARMACEUTICAL COMPOSITION CONTAINING SAME TOKUSHIMA UNIVERSITY (JP) 2019-01-24 US disclosed
EP-3406626-A1 PEPTIDE FOR CANCER TREATMENT AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Tokushima University (JP) 2018-11-28 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 (4 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-20200255474-A1 PEPTIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME PHB2, PHB1, BBC3 ALDH1A1 4828/4885CYP2D6 4688/4885NFKB1 2708/4885
US-20190023739-A1 PEPTIDE FOR CANCER TREATMENT AND PHARMACEUTICAL COMPOSITION CONTAINING SAME PHB2, PHB1, BBC3 ALDH1A1 4840/4885CYP2D6 4776/4885NFKB1 3093/4885
US-11091517-B2 Peptide derivative and pharmaceutical composition containing same PHB2, PHB1, BBC3 ALDH1A1 4828/4885CYP2D6 4688/4885NFKB1 2708/4885
US-10669310-B2 Peptide for cancer treatment and pharmaceutical composition containing same PHB2, PHB1, BBC3 ALDH1A1 4840/4885CYP2D6 4776/4885NFKB1 3093/4885

“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.