SCHEMBL5076589

SCHEMBL5076589

N[C@@H](CCC(=O)NCCc1ccccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 4/20 0.49
HTT P42858 2/20 0.48
PKM P14618 1/20 0.48
LTA4H P09960 1/20 0.48
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR1 P21554 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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 1.00 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL14381157 0.90 KMT2A (0.51) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31369738 0.87 SMN1; SMN2 (0.63) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL31268382 0.86 HPGD (0.50) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL1768948 0.82 SLC1A5 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL30428132 0.82 SLC1A5 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL1176394 0.82 SLC1A5 (0.56) SMN1; SMN2ALDH1A1
SCHEMBL9090227 0.81 SMN1; SMN2 (0.61) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL5076586 0.81 HDAC3 (0.57) HPGDPKMLTA4HL3MBTL1
SCHEMBL5076581 0.81 HDAC3 (0.57) HPGDPKMLTA4HL3MBTL1

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
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP KMT2A 3688/4885MAPT 4761/4885MEN1 808/4885

“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.