SCHEMBL3366754

SCHEMBL3366754

CCCCC(=O)N1CCCC1c1nnc(-c2cccc(OC)c2)o1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.60
HCRTR2 O43614 5/20 0.60
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
GRM5 P41594 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SCD5 Q86SK9 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3366658 0.91 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ATNKS
SCHEMBL3369692 0.88 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ATNKS
SCHEMBL3367060 0.87 HCRTR1 (0.59) HCRTR1HCRTR2TNKSPARP1PARP2
SCHEMBL3367915 0.87 HCRTR1 (0.62) HCRTR1HCRTR2NPC1RAB9ATNKS
SCHEMBL3368150 0.86 HCRTR1 (0.67) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL3367901 0.84 HCRTR1 (0.59) HCRTR1HCRTR2NPC1RAB9ATNKS
SCHEMBL3370587 0.82 HCRTR1 (0.57) HCRTR1HCRTR2TNKSPARP1PARP2
SCHEMBL3368078 0.82 HCRTR1 (0.61) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL3370196 0.82 HCRTR1 (0.56) HCRTR1HCRTR2TNKSPARP1PARP2
SCHEMBL6167820 0.82 HCRTR1 (0.54) HCRTR1HCRTR2TNKSPARP1PARP2

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 146/4885NPC1 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.