SCHEMBL21167115

SCHEMBL21167115

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NCCCOCCOCCOCCCN

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
REN P00797 1/20 0.42
APLNR P35414 1/20 0.39
F2 P00734 2/20 0.36
NTMT1 Q9BV86 2/20 0.36
ACE P12821 3/20 0.36
NMUR2 Q9GZQ4 1/20 0.34
NMUR1 Q9HB89 1/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
KDM5A P29375 1/20 0.34
KDM1B Q8NB78 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34

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
SCHEMBL21350667 0.93 REN (0.41) ITGB1ITGA4RENAPLNRF2
SCHEMBL22478892 0.93 ITGB1 (0.44) ITGB1ITGA4RENAPLNRF2
SCHEMBL21166937 0.91 ITGB1 (0.47) ITGB1ITGA4RENAPLNRF2
SCHEMBL20364961 0.87 TSHR (0.44) RENF2
SCHEMBL21166968 0.86 ITGB3 (0.41) ITGB1ITGA4RENAPLNRF2
SCHEMBL21350918 0.85 ITGB1 (0.41) ITGB1ITGA4RENAPLNRF2
SCHEMBL21166964 0.82 APLNR (0.43) ITGB1ITGA4RENAPLNRNTMT1
SCHEMBL21341377 0.82 TSHR (0.41) ITGB1ITGA4RENF2ACE
SCHEMBL20370138 0.79 TSHR (0.47) F2
SCHEMBL21347879 0.79 TSHR (0.45) F2

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
US-11191812-B2 Compositions in the form of an injectable aqueous solution comprising human glucagon and a co-polyamino acid ADOCIA (FR) 2021-12-07 US disclosed
US-20190275109-A1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION COMPRISING HUMAN GLUCAGON AND A CO-POLYAMINO ACID ADOCIA (FR) 2019-09-12 US disclosed
US-20190216931-A1 INJECTABLE PH 7 SOLUTION COMPRISING AT LEAST ONE BASAL INSULIN HAVING A PI FROM 5.8 TO 8.5 AND A CO-POLYAMINO ACID BEARING CARBOXYLATE CHARGES AND HYDROPHOBIC RADICALS ADOCIA (FR) 2019-07-18 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-11191812-B2 Compositions in the form of an injectable aqueous solution comprising human glucagon and a co-polyamino acid GCG, GIPR, GLP1R ITGB1 4576/4885ITGA4 4207/4885REN 558/4885
US-20190275109-A1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION COMPRISING HUMAN GLUCAGON AND A CO-POLYAMINO ACID GCG, GIPR, GLP1R ITGB1 4540/4885ITGA4 4206/4885REN 715/4885
US-20190216931-A1 INJECTABLE PH 7 SOLUTION COMPRISING AT LEAST ONE BASAL INSULIN HAVING A PI FROM 5.8 TO 8.5 AND A CO-POLYAMINO ACID BEARING CARBOXYLATE CHARGES AND HYDROPHOBIC RADICALS IAPP, INSR, IGFBP5 ITGB1 3057/4885ITGA4 2236/4885REN 1165/4885

“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.