SCHEMBL12305083

SCHEMBL12305083

C=CC[C@H]1CC[C@@H](C(=O)OC)N1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL12851728 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM3KMT2AL3MBTL1
SCHEMBL12305086 1.00 CHRM2 (0.35) CHRM2CHRM4CHRM3KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL30172522 0.98 CHRM2 (0.34) CHRM2CHRM4CHRM3KMT2AL3MBTL1
SCHEMBL6087794 0.90 CHRM2 (0.40) CHRM2CHRM4CHRM3KMT2AL3MBTL1
SCHEMBL25867321 0.90 CHRM2 (0.40) CHRM2CHRM4CHRM3KMT2AL3MBTL1
SCHEMBL12253527 0.84 ALDH1A1 (0.36) L3MBTL1SMN1; SMN2
SCHEMBL30270308 0.84 ALDH1A1 (0.33) CHRM2CHRM4CHRM3KMT2A
SCHEMBL1517868 0.83 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL12034082 0.83 L3MBTL1 (0.33) L3MBTL1SMN1; SMN2
SCHEMBL1518056 0.83 L3MBTL1 (0.33) L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed
US-8013170-B2 Substituted pyrrolo[1,2-d][1,4]-diazonines and treatment of brain damage NEUREN PHARMACEUTICALS LIMITED (AU) 2011-09-06 US disclosed
US-20110052528-A1 Neuroprotective macrocyclic compounds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2011-03-03 US disclosed
US-7485630-B2 Neuroprotective macrocyclic compounds and methods for their use NEUREN PHARMACEUTICALS LIMITED (NZ) 2009-02-03 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-20110052528-A1 Neuroprotective macrocyclic compounds and methods for their use NLN, BAD, BDNF CHRM2 1807/4885CHRM4 1392/4885CHRM3 1383/4885

“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.