SCHEMBL1911532

SCHEMBL1911532

CC(C)C(=O)N1CCN(C(=O)N(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.38
MTNR1B P49286 1/20 0.38
HTR1A P08908 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
SCHEMBL4546617 0.85 CHRNB2 (0.50) MAPTKMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL674660 0.85
SCHEMBL282864 0.85
SCHEMBL22753493 0.85 CHRNB2 (0.50) MAPTKMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL25895293 0.83 CHRNB2 (0.38) MAPTKMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL25514015 0.78 ALDH1A1 (0.46) MAPTKMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL25895218 0.78 PKM (0.35) MAPTKMT2AMEN1SMN1; SMN2CHRNB2
SCHEMBL13740944 0.77 MAPT (0.52) MAPTKMT2AMEN1SMN1; SMN2GAA
SCHEMBL16252541 0.77 ALDH1A1 (0.58) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10309675 0.76 CHRNB2 (0.43) MAPTKMT2AMEN1SMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC MAPT 2167/4885KMT2A 4257/4885MEN1 1838/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC MAPT 2167/4885KMT2A 4257/4885MEN1 1838/4885

“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.