SCHEMBL5080145

SCHEMBL5080145

CCN(Cc1ccccc1)C(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
MAPK1 P28482 2/20 0.56
NPC1 O15118 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 2/20 0.50
TSPO P30536 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MGLL Q99685 1/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL5080148 1.00 LMNA (0.56) LMNATSHRMAPK1NPC1ALOX15
SCHEMBL5083018 0.91 ALPI (0.51) NPC1ALDH1A1RAB9AALPIPKM
SCHEMBL5083024 0.91 ALPI (0.51) NPC1ALDH1A1RAB9AALPIPKM
Hydrochloric Acid SCHEMBL23834346 0.85 GRIK1 (0.47) NPC1RAB9AALPIPKMPTGS1
Hydrochloric Acid SCHEMBL23834378 0.85 GRIK1 (0.47) NPC1RAB9AALPIPKMPTGS1
SCHEMBL5080211 0.82 NPC1 (0.68) MAPK1NPC1ALDH1A1RAB9ATSPO
SCHEMBL5080215 0.82 NPC1 (0.68) MAPK1NPC1ALDH1A1RAB9ATSPO
Hydrochloric Acid SCHEMBL23833849 0.81 NPC1 (0.66) MAPK1NPC1ALDH1A1RAB9ATSPO
SCHEMBL27381315 0.81 GRM8 (0.54) LMNAALOX15KMT2A
SCHEMBL8234369 0.81 LTA4H (0.51) LMNATSHRMAPK1NPC1ALOX15

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 LMNA 3875/4885TSHR 100/4885MAPK1 2059/4885

“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.