SCHEMBL3370504

SCHEMBL3370504

O=S(=O)(Cc1ccc(Cl)cc1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15B O15296 1/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL3366848 0.94 ALDH1A1 (0.48) CYP2C19ALDH1A1ALOX15BKDM4EHPGD
SCHEMBL3367339 0.90 CYP2C19 (0.43) CYP2C19ALDH1A1HTTKDM4EMAPT
SCHEMBL3368142 0.90 CYP2C19 (0.44) CYP2C19ALDH1A1MAPK1HTTKDM4E
SCHEMBL3370219 0.89 KDM4E (0.49) CYP2C19ALDH1A1ALOX15BKDM4EHPGD
SCHEMBL3366078 0.87 HCRTR1 (0.46) CYP2C19ALDH1A1KDM4EMAPTPOLB
SCHEMBL3370281 0.87 MAPT (0.44) CYP2C19ALDH1A1MAPK1HTTKDM4E
SCHEMBL3370356 0.84 ALDH1A1 (0.51) CYP2C19ALDH1A1MAPK1HTTKDM4E
SCHEMBL3366814 0.84 KDM4E (0.41) CYP2C19ALDH1A1ALOX15BKDM4EHPGD
SCHEMBL3368542 0.81 GPR142 (0.48) CYP2C19ALDH1A1HTTKDM4ECYP3A4
SCHEMBL3370780 0.80 CYP2C19 (0.41) CYP2C19ALDH1A1HTTKDM4EMAPT

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 147/4885ALDH1A1 510/4885ALOX15B 1392/4885

“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.