SCHEMBL5079176

SCHEMBL5079176

N[C@@H](CCC(=O)NCCN1CCCCC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GSR P00390 1/20 0.42
CYP1A2 P05177 1/20 0.42
GRIK1 P39086 1/20 0.42

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
SCHEMBL5607982 1.00 MAPT (0.49) MAPTCA12CA1CA2CA9
SCHEMBL1768498 0.98 MAPT (0.47) MAPTCA12CA1CA2CA9
SCHEMBL13584975 0.98 MAPT (0.47) MAPTCA12CA1CA2CA9
SCHEMBL14381158 0.90 MAPT (0.48) MAPTCA12CA1CA2CA9
SCHEMBL1768711 0.88 MAPT (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13584907 0.88 MAPT (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1768903 0.87 HSD17B10 (0.54) ALDH1A1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL1768900 0.87 HSD17B10 (0.54) ALDH1A1KMT2APOLBSMN1; SMN2TSHR
SCHEMBL15208442 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2235897 0.85 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB

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 MAPT 4761/4885CA12 3903/4885CA1 4129/4885

“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.