SCHEMBL3366730

SCHEMBL3366730

O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.44
HCRTR1 O43613 7/20 0.42
HCRTR2 O43614 6/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3368074 0.90 GRM5 (0.52) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3367164 0.85 HCRTR1 (0.47) GRM5HCRTR1HCRTR2
SCHEMBL3366112 0.84 HCRTR1 (0.43) GRM5HCRTR1HCRTR2HDAC3HDAC4
SCHEMBL3366997 0.82 LMNA (0.48) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3367283 0.81 HCRTR1 (0.54) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3366855 0.79 GRM5 (0.48) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3370227 0.78 NPC1 (0.47) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368060 0.76 ALDH1A1 (0.46) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368220 0.76 HCRTR1 (0.51) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3370194 0.75 GRM5 (0.60) GRM5HCRTR1HCRTR2

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 GRM5 80/4885HCRTR1 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.