SCHEMBL3368542

SCHEMBL3368542

O=S(=O)(Cc1cccc(C(F)(F)F)c1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.48
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
USP30 Q70CQ3 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
KDR P35968 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
SRPK1 Q96SB4 1/20 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
SCHEMBL3368142 0.87 CYP2C19 (0.44) CYP2C19KDM4EALDH1A1USP30DPP4
SCHEMBL3370504 0.81 CYP2C19 (0.43) CYP2C19KDM4ECYP3A4ALDH1A1CYP2C9
SCHEMBL3367339 0.81 CYP2C19 (0.43) CYP2C19KDM4EALDH1A1USP30DPP4
SCHEMBL3366078 0.79 HCRTR1 (0.46) CYP2C19KDM4EALDH1A1TP53HCRTR1
SCHEMBL3370281 0.78 MAPT (0.44) CYP2C19KDM4EALDH1A1BCHEACHE
SCHEMBL3369442 0.78 ALDH1A1 (0.44) KDM4EALDH1A1USP30HTTHCRTR1
SCHEMBL3370780 0.78 CYP2C19 (0.41) CYP2C19KDM4EALDH1A1USP30HTT
SCHEMBL3367004 0.78 CYP2C19 (0.41) CYP2C19KDM4EALDH1A1USP30HTT
SCHEMBL3364395 0.77 ALDH1A1 (0.49) CYP2C19CYP3A4ALDH1A1USP30HTT
SCHEMBL3370356 0.76 ALDH1A1 (0.51) CYP2C19KDM4ECYP3A4ALDH1A1CYP2C9

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 GPR142 2923/4885ROCK2 1412/4885ROCK1 1929/4885

“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.