SCHEMBL3366720

SCHEMBL3366720

COc1cccc(-c2nnc(C3CCCN3C(=O)c3ccco3)o2)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.65
HCRTR2 O43614 10/20 0.65
SCD5 Q86SK9 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GRM5 P41594 2/20 0.46

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
SCHEMBL3368150 0.86 HCRTR1 (0.67) HCRTR1HCRTR2SCD5ALDH1A1KDM4E
SCHEMBL3366247 0.85 HCRTR1 (0.58) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL3366784 0.84 HCRTR1 (0.65) HCRTR1HCRTR2SCD5GRM5
SCHEMBL3367057 0.84 HCRTR1 (0.65) HCRTR1HCRTR2SCD5ALDH1A1NPC1
SCHEMBL3368066 0.83 HCRTR1 (0.71) HCRTR1HCRTR2SCD5
SCHEMBL3367423 0.82 HCRTR1 (0.64) HCRTR1HCRTR2SCD5NPC1RAB9A
SCHEMBL3368078 0.82 HCRTR1 (0.61) HCRTR1HCRTR2SCD5ALDH1A1NPC1
SCHEMBL3365296 0.82 HCRTR1 (0.68) HCRTR1HCRTR2SCD5
SCHEMBL3369692 0.82 HCRTR1 (0.59) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3366800 0.82 HCRTR1 (0.65) HCRTR1HCRTR2NPC1

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 146/4885SCD5 2110/4885

“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.