SCHEMBL2238374

SCHEMBL2238374

CC(C)(C)[S+]([O-])N=C(CCCCl)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.39
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 2/20 0.31
DRD4 P21917 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
DRD2 P14416 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 1/20 0.31
PTPN11 Q06124 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
CHRNA4 P43681 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
SCHEMBL2238377 1.00 SLC6A4 (0.39) SLC6A4HRH3LMNAGAAGSK3B
SCHEMBL2238369 1.00 SLC6A4 (0.39) SLC6A4HRH3LMNAGAAGSK3B
SCHEMBL2238365 1.00 SLC6A4 (0.39) SLC6A4HRH3LMNAGAAGSK3B
SCHEMBL2238372 1.00 SLC6A4 (0.39) SLC6A4HRH3LMNAGAAGSK3B
SCHEMBL2235505 0.89 GAA (0.31) GAA
SCHEMBL2237087 0.89 ESR1 (0.32) ALDH1A1
SCHEMBL2235497 0.89 GAA (0.31) GAA
SCHEMBL2237091 0.89 ESR1 (0.32) ALDH1A1
SCHEMBL2235509 0.89 GAA (0.31) GAA
SCHEMBL2237082 0.89 ESR1 (0.32) ALDH1A1

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 SLC6A4 1289/4885HRH3 1647/4885LMNA 3995/4885

“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.