SCHEMBL3854429

SCHEMBL3854429

COC(=O)N1CC[C@H](O)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
DPP4 P27487 2/20 0.44
TSHR P16473 1/20 0.42
DPP7 Q9UHL4 2/20 0.40
PDE4B Q07343 3/20 0.40
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
EPHX1 P07099 1/20 0.40
OPRK1 P41145 1/20 0.39
BRD4 O60885 2/20 0.38
BRDT Q58F21 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1942044 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL6484170 1.00 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL28416641 0.88 CA12 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL14293314 0.88 CA12 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL1982152 0.88 CA12 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL6495220 0.87 EPHX1 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL14752967 0.82
Hydrochloric Acid SCHEMBL28957871 0.80 CHRNB2 (0.55) CHRNB2CHRNA4CHRNB4CHRNA3DPP4
SCHEMBL701943 0.80 GAA (0.56) DPP4TSHRSMN1; SMN2
SCHEMBL2978403 0.80 GAA (0.56) DPP4TSHRSMN1; 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
WO-2010041964-A1 METHODS FOR THE PREPARATION OF ALKENYLAMINES, CYCLIC CARBAMATES OR DITHIOCARBAMATES, AND AMINOALCOHOLS OR AMINOTHIOLS VICTORIA LINK LIMITED (NZ) 2010-04-15 WO disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 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-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 CHRNB2 1791/4885CHRNA4 2763/4885CHRNB4 2377/4885

“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.