SCHEMBL22388754

SCHEMBL22388754

COC(=O)[C@H]1CCC(=O)N1CC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
FKBP1A P62942 3/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CPB1 P15086 1/20 0.43
USP2 O75604 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20334501 0.89 ADRA1A (0.48) ALDH1A1FKBP1AUSP2KMT2A
SCHEMBL24434796 0.83 KMT2A (0.57) ALDH1A1FKBP1AHDAC1HDAC6ITGB1
SCHEMBL2583749 0.83 KMT2A (0.57) ALDH1A1FKBP1AHDAC1HDAC6ITGB1
SCHEMBL927807 0.83 KMT2A (0.57) ALDH1A1FKBP1AHDAC1HDAC6ITGB1
SCHEMBL29816738 0.81 KMT2A (0.49) FKBP1ACPB1KMT2AHTTNPC1
SCHEMBL20886535 0.81 KMT2A (0.49) FKBP1ACPB1KMT2AHTTNPC1
SCHEMBL19313922 0.81 KMT2A (0.49) FKBP1ACPB1KMT2AHTTNPC1
SCHEMBL5741011 0.80 KMT2A (0.54) ALDH1A1FKBP1AHDAC1HDAC6ITGB1
SCHEMBL19975250 0.80 ALDH1A1 (0.66) ALDH1A1FKBP1AUSP2KMT2ARAB9A
SCHEMBL21869824 0.80 FKBP1A (0.53) FKBP1AHDAC1HDAC6ITGB1ITGA4

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-20200277259-A1 BETA-HYDROXY HETEROCYCLIC AMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2020-09-03 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-20200277259-A1 BETA-HYDROXY HETEROCYCLIC AMINES AND THEIR USE IN THE TREATMENT OF HYPERGLYCAEMIA SLC5A1, GPR119, SLC5A2 ALDH1A1 229/4885FKBP1A 4003/4885HDAC1 887/4885

“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.