SCHEMBL31369738

SCHEMBL31369738

N[C@@H](CCC(=O)NCc1ccccn1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
HPGD P15428 3/20 0.63
ALOX15 P16050 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
POLB P06746 2/20 0.58
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SLC1A1 P43005 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.50
LTA4H P09960 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL5076600 0.87 KMT2A (0.52) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL5076589 0.87 KMT2A (0.52) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL4935897 0.87 HPGD (0.56) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL4935923 0.87 HPGD (0.56) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL5079211 0.86 POLB (0.61) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL5079207 0.86 POLB (0.61) SMN1; SMN2HPGDALOX15TDP1POLB
SCHEMBL2236666 0.81 CHRM2 (0.53) SMN1; SMN2ALOX15POLBMEN1KMT2A
SCHEMBL2236660 0.81 CHRM2 (0.53) SMN1; SMN2ALOX15POLBMEN1KMT2A
SCHEMBL1768776 0.80 SLC1A1 (0.76) HPGDMEN1KMT2ASLC1A1ALDH1A1
SCHEMBL1768774 0.80 SLC1A1 (0.76) HPGDMEN1KMT2ASLC1A1ALDH1A1

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 SMN1; SMN2 4155/4885HPGD 3877/4885ALOX15 4849/4885

“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.