SCHEMBL3366959

SCHEMBL3366959

O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1c1nnc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.56
HCRTR2 O43614 12/20 0.56
HSD11B1 P28845 2/20 0.48
USP30 Q70CQ3 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
PGR P06401 2/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3366901 0.90 HCRTR1 (0.61) HCRTR1HCRTR2HSD11B1USP30NPC1
SCHEMBL3366195 0.89 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1USP30NPC1
SCHEMBL3370128 0.88 HCRTR1 (0.59) HCRTR1HCRTR2HSD11B1USP30NPC1
SCHEMBL3368243 0.84 HCRTR1 (0.66) HCRTR1HCRTR2USP30NPC1RAB9A
SCHEMBL3370194 0.84 GRM5 (0.60) HCRTR1HCRTR2USP30PGR
SCHEMBL3368259 0.83 HCRTR1 (0.63) HCRTR1HCRTR2HSD11B1USP30
SCHEMBL3370285 0.82 HCRTR1 (0.56) HCRTR1HCRTR2USP30NPC1RAB9A
SCHEMBL3367896 0.82 HCRTR1 (0.62) HCRTR1HCRTR2USP30NPC1RAB9A
SCHEMBL3366642 0.82 HCRTR1 (0.58) HCRTR1HCRTR2HSD11B1USP30NPC1
SCHEMBL3366778 0.82 HCRTR1 (0.58) HCRTR1HCRTR2HSD11B1USP30NPC1

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.