SCHEMBL3366112

SCHEMBL3366112

O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.43
HCRTR2 O43614 14/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
TDP1 Q9NUW8 1/20 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
GRM5 P41594 2/20 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
SCHEMBL3370279 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3366730 0.84 GRM5 (0.44) HCRTR1HCRTR2HDAC3HDAC4HDAC1
SCHEMBL3370738 0.82 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3368220 0.78 HCRTR1 (0.51) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3368074 0.78 GRM5 (0.52) HCRTR1HCRTR2KDM4ESMN1; SMN2GRM5
SCHEMBL3369478 0.77 HCRTR1 (0.58) HCRTR1HCRTR2HDAC3HDAC1HDAC6
SCHEMBL3368249 0.77 HCRTR1 (0.48) HCRTR1HCRTR2KDM4ESMN1; SMN2GRM5
SCHEMBL3368060 0.76 ALDH1A1 (0.46) HCRTR1HCRTR2KDM4EMEN1LMNA
SCHEMBL3366997 0.76 LMNA (0.48) HCRTR1HCRTR2KDM4ELMNAHTT
SCHEMBL3366076 0.76 HCRTR1 (0.57) HCRTR1HCRTR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
EP-1532141-A1 2-PYRROLIDIN-2-YL- 1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2005-05-25 EP claimed
WO-2004024725-A1 2-PYRROLIDIN-2-YL-[1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS Grünenthal GmbH (DE) 2004-03-25 WO claimed
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 146/4885KDM4E 1219/4885

“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.