SCHEMBL13871981

SCHEMBL13871981

CC(C)(C)OC(=O)N1CCCC1C(=O)CO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PREP P48147 1/20 0.48
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
UCHL1 P09936 2/20 0.46
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
POLB P06746 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
SCHEMBL903389 0.88 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL10031609 0.88 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL204974 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2259135 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6948605 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL3601048 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2707102 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6941435 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL8389716 0.86 HSD17B10 (0.56) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL4499549 0.85 HSD17B10 (0.58) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111822-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111822-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 HSD17B10 3796/4885SMN1; SMN2 2159/4885NPC1 1924/4885

“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.