SCHEMBL421967

SCHEMBL421967

O=C(n1ccnc1)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CHRM3 P20309 16/20 0.54
CHRM2 P08172 4/20 0.54
CHRM1 P11229 4/20 0.54
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4886108 0.79 KEAP1 (0.52) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3042681 0.78 KEAP1 (0.51) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL2454545 0.77 CYP11B1 (0.46) CHRM3CHRM2CHRM1ALDH1A1CYP1A2
SCHEMBL3041391 0.76 ALDH1A1 (0.54) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3042248 0.75 POLB (0.54) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3055269 0.74 HTT (0.58) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL3047459 0.74 CHRM2 (0.49) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL16209859 0.73 CHRM3 (0.78) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4883203 0.73 CHRM3 (0.78) KEAP1NFE2L2CHRM3CHRM2CHRM1
SCHEMBL4892749 0.73 CHRM3 (0.68) KEAP1NFE2L2CHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417106-B1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2016-11-30 EP disclosed
EP-2417106-B1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2016-11-30 EP disclosed
EP-2417106-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS Novartis AG (CH) 2012-02-15 EP disclosed
US-20120022127-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2012-01-26 US disclosed
US-20120022127-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2012-01-26 US disclosed
US-20120022127-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2012-01-26 US disclosed
WO-2010115937-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2010-10-14 WO disclosed
WO-2010115937-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS NOVARTIS AG (CH) 2010-10-14 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 (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-20120022127-A1 PROCESS FOR PREPARING PYRROLIDINIUM SALTS C1S, C1R, C9 KEAP1 2968/4885NFE2L2 3291/4885CHRM3 616/4885

“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.