SCHEMBL2239093

SCHEMBL2239093

CC(C)(C)[S@+]([O-])N1CCC[C@H]1c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.38
PTGS2 P35354 2/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL2240434 1.00 LMNA (0.44) LMNANPC1RAB9APOLBALDH1A1
SCHEMBL2240424 1.00 LMNA (0.44) LMNANPC1RAB9APOLBALDH1A1
SCHEMBL2240430 1.00 LMNA (0.44) LMNANPC1RAB9APOLBALDH1A1
SCHEMBL12355495 0.77 CHRNB2 (0.51)
SCHEMBL14053851 0.77 CHRNB2 (0.51)
SCHEMBL14054540 0.77 CHRNB2 (0.51)
SCHEMBL14053857 0.77 CHRNB2 (0.51)
SCHEMBL14054537 0.77 CHRNB2 (0.51)
SCHEMBL12349938 0.75 LMNA (0.49) LMNANPC1RAB9APOLBALDH1A1
SCHEMBL14053720 0.72 CYP19A1 (0.38) RAB9AALDH1A1MAPT

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 LMNA 3995/4885NPC1 3939/4885RAB9A 1563/4885

“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.