SCHEMBL3366252

SCHEMBL3366252

Cc1nnsc1C(=O)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HCRTR1 O43613 12/20 0.44
HCRTR2 O43614 10/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM5 P41594 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3367920 0.82 HCRTR1 (0.56) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL3368060 0.80 ALDH1A1 (0.46) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3366997 0.80 LMNA (0.48) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3369463 0.79 ALDH1A1 (0.53) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3370227 0.78 NPC1 (0.47) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3370210 0.78 NPC1 (0.52) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3366100 0.78 NPC1 (0.50) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3368074 0.77 GRM5 (0.52) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3367283 0.77 HCRTR1 (0.54) NPC1RAB9AHCRTR1HCRTR2HSD17B10
SCHEMBL3366703 0.77 NPC1 (0.51) NPC1RAB9AHCRTR1HCRTR2HSD17B10

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 NPC1 4103/4885RAB9A 3699/4885HCRTR1 461/4885

“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.