SCHEMBL2240749

SCHEMBL2240749

CC(C)(C)[S@+]([O-])N1CCCCC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
RIPK1 Q13546 3/20 0.44
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
ACLY P53396 1/20 0.36
PRMT5 O14744 4/20 0.36
WDR77 Q9BQA1 4/20 0.36
SLC18A3 Q16572 1/20 0.35
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14054267 1.00 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL2240742 1.00 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL2240739 1.00 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL14053649 1.00 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL14053851 0.95 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL14054537 0.95 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL14054540 0.95 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL14053857 0.95 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL12355495 0.95 CHRNB2 (0.51) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3
SCHEMBL17870930 0.91 RIPK1 (0.47) CHRNB2CHRNA7CHRNA4CHRNB4CHRNA3

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
EP-2536687-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES Novartis AG (CH) 2012-12-26 EP disclosed
US-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2012-11-29 US disclosed
WO-2011103263-A2 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES NOVARTIS AG (CH) 2011-08-25 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-20120302756-A1 PROCESS FOR SYNTHESIS OF 2-SUBSTITUTED PYRROLIDINES AND PIPERADINES DHPS, ALDH18A1, QDPR CHRNB2 3663/4885CHRNA7 3951/4885CHRNA4 3062/4885

“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.