SCHEMBL3366685

SCHEMBL3366685

O=C(c1ccc(C(F)(F)F)cc1)N1CCCC1c1nnc(-c2ccccc2)o1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.55
HCRTR2 O43614 11/20 0.55
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
GRM5 P41594 1/20 0.46
HDAC3 O15379 1/20 0.46
CYP2C9 P11712 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DPP4 P27487 2/20 0.45
USP30 Q70CQ3 1/20 0.44
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL3367286 0.92 HCRTR1 (0.49) HCRTR1HCRTR2GRM5DPP4SPHK2
SCHEMBL3368917 0.90 HCRTR1 (0.58) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366901 0.89 HCRTR1 (0.61) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3367538 0.87 HCRTR1 (0.53) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3365273 0.87 HCRTR1 (0.53) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366076 0.85 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL3366195 0.84 HCRTR1 (0.56) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3370194 0.84 GRM5 (0.60) HCRTR1HCRTR2GRM5DPP4USP30
SCHEMBL3367335 0.84 HCRTR1 (0.61) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366558 0.84 HCRTR1 (0.60) HCRTR1HCRTR2HDAC3CYP2C9HDAC1

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 146/4885NPC1 4103/4885

“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.