SCHEMBL3366910

SCHEMBL3366910

O=C(CC1CCCC1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
HCRTR1 O43613 15/20 0.46
HCRTR2 O43614 15/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL3365251 0.85 HCRTR1 (0.48) CYP2C19HCRTR1HCRTR2L3MBTL1HSD11B1
SCHEMBL3364311 0.83 CYP2C19 (0.52) CYP2C19HCRTR1HCRTR2KDM4EHPGD
SCHEMBL3369115 0.83 HCRTR1 (0.52) CYP2C19HCRTR1HCRTR2L3MBTL1
SCHEMBL3367532 0.82 HCRTR1 (0.47) CYP2C19HCRTR1HCRTR2L3MBTL1KDM4E
SCHEMBL3370569 0.80 HCRTR1 (0.47) CYP2C19HCRTR1HCRTR2L3MBTL1
SCHEMBL3370197 0.80 GAA (0.47) CYP2C19HCRTR1HCRTR2L3MBTL1HSD11B1
SCHEMBL3370192 0.80 HCRTR1 (0.52) HCRTR1HCRTR2L3MBTL1KDM4EHSD11B1
SCHEMBL3366771 0.79 CPT1A (0.53) HCRTR1HCRTR2KDM4EHPGDHSD11B1
SCHEMBL3367869 0.77 HCRTR1 (0.59) CYP2C19HCRTR1HCRTR2L3MBTL1KDM4E
SCHEMBL3368254 0.77 HCRTR1 (0.52) CYP2C19HCRTR1HCRTR2

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.