SCHEMBL5137673

SCHEMBL5137673

N[C@@H](CCC(=O)N1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.64
DPP7 Q9UHL4 5/20 0.64
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PARP1 P09874 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
DPP4 P27487 4/20 0.58
HDAC8 Q9BY41 2/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL5137675 1.00 DPP8 (0.64) DPP8DPP7HPGDTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL23833870 0.92 PARP1 (0.55) DPP8DPP7HPGDTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL23833867 0.92 PARP1 (0.55) DPP8DPP7HPGDTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL23834108 0.91 DPP8 (0.53) DPP8DPP7HPGDTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL23834111 0.91 DPP8 (0.53) DPP8DPP7HPGDTSHRSMN1; SMN2
SCHEMBL5078454 0.90 DPP4 (0.62) DPP8DPP7PARP1DPP4HDAC8
SCHEMBL5078455 0.90 DPP4 (0.62) DPP8DPP7PARP1DPP4HDAC8
SCHEMBL8231470 0.89 DPP8 (0.64) DPP8DPP7HPGDTSHRSMN1; SMN2
SCHEMBL13584358 0.83 PARP1 (0.50) DPP8DPP7HPGDTSHRSMN1; SMN2
SCHEMBL13584356 0.83 PARP1 (0.50) DPP8DPP7HPGDTSHRSMN1; SMN2

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 DPP8 41/4885DPP7 18/4885HPGD 2659/4885

“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.