SCHEMBL3366078

SCHEMBL3366078

COc1ccc(CS(=O)(=O)N2CCCC2c2nnc(-c3ccncc3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
FKBP1A P62942 2/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3367339 0.89 CYP2C19 (0.43) HCRTR1HCRTR2KDM4EGSK3AGSK3B
SCHEMBL3370356 0.89 ALDH1A1 (0.51) HCRTR1HCRTR2POLBKDM4EFKBP1A
SCHEMBL3370504 0.87 CYP2C19 (0.43) POLBKDM4EMAPTCYP2C19LMNA
SCHEMBL3368142 0.87 CYP2C19 (0.44) HCRTR1HCRTR2POLBKDM4EGSK3A
SCHEMBL3370281 0.84 MAPT (0.44) POLBKDM4EUSP2GSK3AGSK3B
SCHEMBL3366848 0.81 ALDH1A1 (0.48) POLBKDM4EFKBP1AMAPTCYP2C19
SCHEMBL3367004 0.80 CYP2C19 (0.41) HCRTR1HCRTR2KDM4EUSP2MAPT
SCHEMBL3370780 0.80 CYP2C19 (0.41) HCRTR1HCRTR2KDM4EMAPTTP53
SCHEMBL3366253 0.79 CYP2C19 (0.44) HCRTR1HCRTR2KDM4EMAPTCYP2C19
SCHEMBL3368542 0.79 GPR142 (0.48) HCRTR1HCRTR2KDM4ETP53CYP2C19

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 HCRTR1 461/4885HCRTR2 146/4885POLB 1906/4885

“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.