SCHEMBL3366253

SCHEMBL3366253

CCCCS(=O)(=O)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTR6 P50406 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
USP30 Q70CQ3 1/20 0.36
CA1 P00915 2/20 0.36

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
SCHEMBL3370356 0.84 ALDH1A1 (0.51) CYP2C19KDM4EALDH1A1RAB9ANPC1
SCHEMBL3367339 0.84 CYP2C19 (0.43) CYP2C19KDM4EALDH1A1RAB9ANPC1
SCHEMBL3368142 0.81 CYP2C19 (0.44) CYP2C19KDM4EALDH1A1RAB9ANPC1
SCHEMBL3368092 0.81 CYP2C19 (0.48) CYP2C19KDM4EALDH1A1RAB9ALMNA
SCHEMBL3370780 0.80 CYP2C19 (0.41) CYP2C19KDM4EALDH1A1RAB9AMAPT
SCHEMBL3367004 0.80 CYP2C19 (0.41) CYP2C19KDM4EALDH1A1RAB9ALMNA
SCHEMBL3370504 0.80 CYP2C19 (0.43) CYP2C19KDM4EALDH1A1LMNAMAPT
SCHEMBL3366078 0.79 HCRTR1 (0.46) CYP2C19KDM4EALDH1A1RAB9ANPC1
SCHEMBL3370281 0.77 MAPT (0.44) CYP2C19KDM4EALDH1A1RAB9ANPC1
SCHEMBL3367532 0.76 HCRTR1 (0.47) CYP2C19KDM4EALDH1A1RAB9ANPC1

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 147/4885KDM4E 1219/4885ALDH1A1 510/4885

“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.