SCHEMBL12618

SCHEMBL12618

C1CCN(CC2CCOCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.67
ADRA2C P18825 1/20 0.67
ACHE P22303 1/20 0.47
GBA1 P04062 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.37
EBP Q15125 1/20 0.37
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 1/20 0.37
SCN1A P35498 1/20 0.36
SCN4A P35499 1/20 0.36
SCN7A Q01118 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN11A Q9UI33 1/20 0.36
SCN8A Q9UQD0 1/20 0.36

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
SCHEMBL18682635 0.98 CHRM5 (0.62) CHRM5ADRA2CACHEGBA1SMN1; SMN2
SCHEMBL13220 0.87 ADRA2C (0.56) CHRM5ADRA2CACHEGBA1SMN1; SMN2
SCHEMBL12671 0.84 CHRM5 (0.52) CHRM5ADRA2CACHEGBA1SMN1; SMN2
SCHEMBL4824721 0.83 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL3632436 0.83 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL19612775 0.83 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL1241238 0.83 CHRM5 (0.84) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL10351211 0.82 CHRM5 (0.67) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL20643257 0.80 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2HRH3
SCHEMBL19575409 0.80 CHRM5 (1.00) CHRM5ADRA2CACHESMN1; SMN2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES NOVARTIS AG (CH) 2024-07-25 US disclosed
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
US-9790211-B2 5-amino-quinoline-8-carboxamide derivatives as 5-HT4 receptor agonists SUVEN LIFE SCIENCES LIMITED (IN) 2017-10-17 US disclosed
WO-2017008205-A1 SUBSTITUTED AMINOQUINAZOLINE COMPOUNDS AS A2A ANTAGONIST MERCK SHARP & DOHME CORP. (US) 2017-01-19 WO disclosed
US-20160280694-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS SUVEN LIFE SCIENCES LIMITED (IN) 2016-09-29 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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 (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-20240245670-A1 DOSING REGIMEN AND PHARMACEUTICAL COMBINATION COMPRISING 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES IKZF1, IKZF2, IKZF3 CHRM5 4587/4885ADRA2C 2722/4885ACHE 4134/4885
US-20160280694-A1 5-AMINO-QUINOLINE-8-CARBOXAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS HTR4, HTR5A, HTR1A CHRM5 109/4885ADRA2C 30/4885ACHE 906/4885

“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.