SCHEMBL3366855

SCHEMBL3366855

O=C(c1ccc(Cl)nc1)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 6/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL3366997 0.89 LMNA (0.48) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3367283 0.84 HCRTR1 (0.54) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368074 0.82 GRM5 (0.52) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368249 0.81 HCRTR1 (0.48) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3370227 0.81 NPC1 (0.47) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368060 0.79 ALDH1A1 (0.46) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3368220 0.79 HCRTR1 (0.51) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3366730 0.79 GRM5 (0.44) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3366252 0.77 NPC1 (0.45) GRM5HCRTR1HCRTR2NPC1RAB9A
SCHEMBL3369463 0.76 ALDH1A1 (0.53) GRM5HCRTR1HCRTR2NPC1RAB9A

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.