SCHEMBL3368643

SCHEMBL3368643

O=C(c1c(F)cccc1F)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.53
HCRTR2 O43614 14/20 0.53
PREP P48147 1/20 0.45
DPP4 P27487 1/20 0.45
CYP2C19 P33261 1/20 0.44
GRM5 P41594 1/20 0.43
SCD O00767 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
SCHEMBL3369323 0.87 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL3366758 0.85 HCRTR1 (0.52) HCRTR1HCRTR2CYP2C19GRM5SCD
SCHEMBL3366081 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3366688 0.84 GRM5 (0.55) HCRTR1HCRTR2GRM5
SCHEMBL3368254 0.82 HCRTR1 (0.52) HCRTR1HCRTR2CYP2C19GRM5SCD
SCHEMBL3368116 0.81 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3365094 0.80 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL3367286 0.80 HCRTR1 (0.49) HCRTR1HCRTR2DPP4CYP2C19GRM5
SCHEMBL3369211 0.80 HCRTR1 (0.60) HCRTR1HCRTR2DPP4GRM5
SCHEMBL3370144 0.80 HCRTR1 (0.55) 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-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
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 disclosed
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 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 146/4885PREP 1461/4885

“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.