SCHEMBL3368653

SCHEMBL3368653

COc1ccc(C(=O)N2CCCC2c2nnc(-c3ccc(Cl)cc3)o2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.54
HCRTR1 O43613 9/20 0.53
HCRTR2 O43614 9/20 0.53
HSD11B1 P28845 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
SCD O00767 1/20 0.45

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
SCHEMBL3366195 0.82 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1
SCHEMBL3366564 0.82 HSD11B1 (0.51) HCRTR1HCRTR2HSD11B1SMN1; SMN2
SCHEMBL3370658 0.82 HSD11B1 (0.49) HCRTR1HCRTR2HSD11B1SMN1; SMN2
SCHEMBL3370363 0.80 HCRTR1 (0.53) ROCK2HCRTR1HCRTR2
SCHEMBL3366727 0.79 MAPT (0.49) HCRTR1HCRTR2HSD11B1
SCHEMBL3370351 0.79 HSD11B1 (0.54) HCRTR1HCRTR2HSD11B1SMN1; SMN2
SCHEMBL3370128 0.78 HCRTR1 (0.59) HCRTR1HCRTR2HSD11B1SMN1; SMN2
SCHEMBL3367896 0.78 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL3366959 0.78 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1SMN1; SMN2
SCHEMBL3367335 0.78 HCRTR1 (0.61) HCRTR1HCRTR2HSD11B1

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 ROCK2 1412/4885HCRTR1 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.