SCHEMBL4870111

SCHEMBL4870111

CC1C(=O)C(C(O)C=O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
GRM5 P41594 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4861156 0.82 MEN1 (0.42) NPC1GRM5KDM4EMEN1KMT2A
SCHEMBL4861150 0.82 MEN1 (0.42) NPC1GRM5KDM4EMEN1KMT2A
SCHEMBL4765783 0.75 DDB1 (0.39) HSD17B10KDM4EMAPTTHRBDDB1
SCHEMBL489126 0.71 CHRM2 (0.44) HSD17B10
SCHEMBL4175218 0.71 CHRM2 (0.44) HSD17B10
SCHEMBL489128 0.71 CHRM2 (0.44) HSD17B10
SCHEMBL115203 0.71 CHRM2 (0.42) NPC1HSD17B10
SCHEMBL116370 0.71 CHRM2 (0.42) NPC1HSD17B10
SCHEMBL374638 0.71 CHRM2 (0.42) NPC1HSD17B10
SCHEMBL21818827 0.70 MAPT (0.42) HSD17B10KDM4EMAPTMEN1KMT2A

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-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 NPC1 1979/4885GRM5 2708/4885HSD17B10 474/4885

“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.