SCHEMBL1346216

SCHEMBL1346216

CN(C)C(=O)CC1COCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 3/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
FEN1 P39748 1/20 0.30
HSD17B10 Q99714 2/20 0.30
HPGD P15428 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL12903289 0.84
SCHEMBL31479423 0.83 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL1512803 0.79 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL323060 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL322281 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL323220 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL189762 0.76 LMNA (0.44) ALDH1A1L3MBTL1SMN1; SMN2NPC1LMNA
SCHEMBL27419581 0.76 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL1965496 0.75 ALDH1A1 (0.44) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL9938587 0.75 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193379-B2 Method for preparing 4B-amino-4′-demethyl-4-desoxypodophyllotoxin Medicament, Pierre Fabre (FR) 2012-06-05 US claimed
US-8063214-B2 Polymorphic forms of tadalafil DR. REDDY'S LABORATORIES LIMITED (IN) 2011-11-22 US claimed
WO-2023142985-A1 PREPARATION METHOD FOR TGF-β-INHIBITING ANTI-TUMOR DRUG 四川科伦博泰生物医药股份有限公司 2023-08-03 WO disclosed
US-20100075973-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-25 US disclosed
WO-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20060264623-A1 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 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 (3 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-20100075973-A1 POLO-LIKE KINASE INHIBITORS PLK2, PLK4, PLK1 CHRM2 4880/4885CHRM4 4873/4885CHRM5 4868/4885
US-20060264623-A1 DNA-PK inhibitors TOP2B, TOP2A, POLN CHRM2 4690/4885CHRM4 4737/4885CHRM5 4755/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 CHRM2 451/4885CHRM4 321/4885CHRM5 297/4885

“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.