SCHEMBL3369802

SCHEMBL3369802

O=C(c1ccccn1)N1CCCC1c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.52
HCRTR2 O43614 14/20 0.52
HSD11B1 P28845 1/20 0.50
GRM5 P41594 1/20 0.50
ALOX15B O15296 1/20 0.45
ALDH1A1 P00352 1/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
SCD5 Q86SK9 1/20 0.43

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 0.84 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1ALOX15BALDH1A1
SCHEMBL3369372 0.81 HSD11B1 (0.51) HCRTR1HCRTR2HSD11B1ALOX15BALDH1A1
SCHEMBL3368240 0.80 HCRTR1 (0.55) HCRTR1HCRTR2HSD11B1ALOX15BALDH1A1
SCHEMBL3366564 0.80 HSD11B1 (0.51) HCRTR1HCRTR2HSD11B1ALOX15BALDH1A1
SCHEMBL3368881 0.79 HCRTR1 (0.54) HCRTR1HCRTR2HSD11B1
SCHEMBL3365094 0.79 HCRTR1 (0.58) HCRTR1HCRTR2HSD11B1
SCHEMBL3366773 0.78 CPT1A (0.66) HSD11B1
SCHEMBL3366081 0.78 HCRTR1 (0.53) HCRTR1HCRTR2HSD11B1ALOX15BALDH1A1
SCHEMBL3366901 0.78 HCRTR1 (0.61) HCRTR1HCRTR2HSD11B1GRM5SCD5
SCHEMBL3370128 0.77 HCRTR1 (0.59) HCRTR1HCRTR2HSD11B1GRM5ALDH1A1

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 146/4885HSD11B1 545/4885

“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.