SCHEMBL31369726

SCHEMBL31369726

O=C(O)CC[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TACR3 P29371 1/20 0.38
NPC1 O15118 1/20 0.38
CHRM4 P08173 1/20 0.38
RBP4 P02753 1/20 0.38
EPHX2 P34913 1/20 0.37
OPRD1 P41143 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2R P25116 1/20 0.37

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
SCHEMBL31370165 1.00 KMT2A (0.46) KMT2AFABP5FABP7CHRNB2CHRNA4
SCHEMBL8606944 0.93 KMT2A (0.48) KMT2AFABP5FABP7CHRNB2CHRNA4
SCHEMBL30422339 0.88 KMT2A (0.43) KMT2AFABP5FABP7CHRNB2CHRNA4
SCHEMBL799719 0.86 KMT2A (0.52) KMT2AFABP5FABP7L3MBTL1ALDH1A1
SCHEMBL119838 0.83 KMT2A (0.44) KMT2AFABP5FABP7L3MBTL1ALDH1A1
SCHEMBL31515414 0.82 L3MBTL1 (0.45) KMT2AFABP5FABP7L3MBTL1ALDH1A1
SCHEMBL793840 0.82 L3MBTL1 (0.45) KMT2AFABP5FABP7L3MBTL1ALDH1A1
SCHEMBL1437435 0.81 CHRNB2 (0.44) KMT2AFABP5FABP7CHRNB2CHRNA4
SCHEMBL15884802 0.81 SMN1; SMN2 (0.53) KMT2AFABP5FABP7L3MBTL1ALDH1A1
SCHEMBL29922193 0.81 SMN1; SMN2 (0.53) KMT2AFABP5FABP7L3MBTL1ALDH1A1

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 KMT2A 3415/4885FABP5 424/4885FABP7 508/4885

“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.