SCHEMBL23004635

SCHEMBL23004635

CCC(=O)OC1CCN([11CH3])CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.51
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM3 P20309 4/20 0.46
CHRM1 P11229 3/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 1/20 0.46
CHRM2 P08172 2/20 0.44
MLNR O43193 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 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
SCHEMBL16897737 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL12321236 0.89 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL30142083 0.89 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL5844533 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
Hydrochloric Acid SCHEMBL5843353 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL21765657 0.83 NAAA (0.48) ALDH1A1SMN1; SMN2CHRM3CHRM1CHRM4
SCHEMBL2253713 0.83
SCHEMBL2005308 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL25475322 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A
SCHEMBL17296564 0.82 NAAA (0.60) ALDH1A1SMN1; SMN2RAB9AMAPTSCN1A

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-11826435-B2 Conduritol aziridine derivatives and uses thereof UNIVERSITY OF SASKATCHEWAN (CA) 2023-11-28 US disclosed
US-20210052752-A1 CONDURITOL AZIRIDINE DERIVATIVES AND USES THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2021-02-25 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 (2 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-11826435-B2 Conduritol aziridine derivatives and uses thereof GAA, MAN2B1, GBA3 ALDH1A1 197/4885SMN1; SMN2 3521/4885RAB9A 196/4885
US-20210052752-A1 CONDURITOL AZIRIDINE DERIVATIVES AND USES THEREOF GAA, MAN2B1, GBA3 ALDH1A1 197/4885SMN1; SMN2 3521/4885RAB9A 196/4885

“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.