SCHEMBL2237834

SCHEMBL2237834

CC(C)(C)[S+]([O-])/N=C(\CCCCl)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
DRD4 P21917 3/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 4/20 0.32
TMEM97 Q5BJF2 3/20 0.32
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL2237847 1.00 SLC6A4 (0.38) SLC6A4DRD4DRD2HTR7NPC1
SCHEMBL2237843 1.00 SLC6A4 (0.38) SLC6A4DRD4DRD2HTR7NPC1
SCHEMBL2237838 1.00 SLC6A4 (0.38) SLC6A4DRD4DRD2HTR7NPC1
SCHEMBL2237851 1.00 SLC6A4 (0.38) SLC6A4DRD4DRD2HTR7NPC1
SCHEMBL2235505 0.87 GAA (0.31)
SCHEMBL2238377 0.87 SLC6A4 (0.39) SLC6A4DRD4DRD2SIGMAR1
SCHEMBL2237091 0.87 ESR1 (0.32) NPC1RAB9A
SCHEMBL2237082 0.87 ESR1 (0.32) NPC1RAB9A
SCHEMBL2238374 0.87 SLC6A4 (0.39) SLC6A4DRD4DRD2SIGMAR1
SCHEMBL2237087 0.87 ESR1 (0.32) NPC1RAB9A

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 1289/4885DRD4 15/4885DRD2 17/4885

“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.