SCHEMBL3364221

SCHEMBL3364221

CCOC(=O)CC(=O)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HCRTR1 O43613 5/20 0.43
HCRTR2 O43614 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GRM5 P41594 2/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6068885 0.92 ALDH1A1 (0.49) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3366703 0.92 NPC1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3369463 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3370210 0.83 NPC1 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3366100 0.81 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3368108 0.81 HCRTR2 (0.47) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL3370227 0.77 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3366252 0.77 NPC1 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3370197 0.76 GAA (0.47) ALDH1A1GAAHCRTR1HCRTR2L3MBTL1
SCHEMBL3370232 0.75 RAB9A (0.46) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 ALDH1A1 510/4885KDM4E 1219/4885NPC1 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.