SCHEMBL24029271

SCHEMBL24029271

CC(C)(C)OC(=O)N1CCC[C@@H]1CNCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
OPRD1 P41143 1/20 0.47
FPR3 P25089 1/20 0.45
FPR2 P25090 1/20 0.45
KDM1A O60341 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL3249457 0.87 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL5847543 0.87 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL4169505 0.87 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL5109143 0.87 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL1598051 0.87 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL190145 0.87 SMN1; SMN2 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL18754782 0.85 SMN1; SMN2 (0.48) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL20812666 0.85 OPRD1 (0.49) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL18872558 0.84 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL3040560 0.84 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A

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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. 2023-06-15 US disclosed
WO-2021231726-A1 ENPP1 MODULATORS AND USES THEREOF Vir Biotechnology, Inc. (US) 2021-11-18 WO 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-20230183188-A1 ENPP1 MODULATORS AND USES THEREOF ENPP1, ENPP2, ENPP3 SMN1; SMN2 2314/4885OPRD1 2751/4885FPR3 1215/4885

“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.