SCHEMBL3367004

SCHEMBL3367004

Cc1cc(C)c(C)c(CS(=O)(=O)N2CCCC2c2nnc(-c3ccncc3)o2)c1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
HCRTR1 O43613 12/20 0.39
HCRTR2 O43614 12/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
USP30 Q70CQ3 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 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
SCHEMBL3370780 0.90 CYP2C19 (0.41) CYP2C19HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3367339 0.82 CYP2C19 (0.43) CYP2C19HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3368142 0.82 CYP2C19 (0.44) CYP2C19HCRTR1HCRTR2KDM4EHTT
SCHEMBL3370504 0.80 CYP2C19 (0.43) CYP2C19MAPTSMN1; SMN2KDM4EHTT
SCHEMBL3366253 0.80 CYP2C19 (0.44) CYP2C19HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3366078 0.80 HCRTR1 (0.46) CYP2C19HCRTR1HCRTR2MAPTKDM4E
SCHEMBL3368542 0.78 GPR142 (0.48) CYP2C19HCRTR1HCRTR2KDM4EHTT
SCHEMBL3370281 0.77 MAPT (0.44) CYP2C19MAPTSMN1; SMN2KDM4EHTT
SCHEMBL3368092 0.77 CYP2C19 (0.48) CYP2C19HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL3370356 0.77 ALDH1A1 (0.51) CYP2C19HCRTR1HCRTR2MAPTSMN1; SMN2

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-1532141-B1 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS GRUENENTHAL GMBH (DE) 2010-10-13 EP disclosed
US-7105538-B2 2-pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2006-09-12 US disclosed
US-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants GRUENENTHAL GMBH (DE) 2005-08-25 US 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-20050187260-A1 2-Pyrrolidin-2-yl-[1,3,4]-oxadiazole compounds and their use as anti-depressants OPRD1, OPRK1, GRIN2C CYP2C19 147/4885HCRTR1 461/4885HCRTR2 146/4885

“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.