SCHEMBL3367532

SCHEMBL3367532

CCCCCC(=O)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.47
HCRTR2 O43614 13/20 0.47
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TNKS O95271 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD11B1 P28845 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
SCHEMBL3365251 0.93 HCRTR1 (0.48) HCRTR1HCRTR2CYP2C19ALDH1A1L3MBTL1
SCHEMBL3370197 0.85 GAA (0.47) HCRTR1HCRTR2CYP2C19ALDH1A1L3MBTL1
SCHEMBL3366910 0.82 CYP2C19 (0.49) HCRTR1HCRTR2CYP2C19ALDH1A1L3MBTL1
SCHEMBL3369975 0.81 HSD11B1 (0.52) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL3367060 0.81 HCRTR1 (0.59) HCRTR1HCRTR2ALDH1A1TNKSPARP1
SCHEMBL3369115 0.80 HCRTR1 (0.52) HCRTR1HCRTR2CYP2C19L3MBTL1TNKS
SCHEMBL3366762 0.79 HCRTR1 (0.49) HCRTR1HCRTR2CYP2C19
SCHEMBL3366754 0.79 HCRTR1 (0.60) HCRTR1HCRTR2ALDH1A1TNKSPARP1
SCHEMBL3370520 0.79 HCRTR1 (0.50) HCRTR1HCRTR2CYP2C19
SCHEMBL3364311 0.78 CYP2C19 (0.52) HCRTR1HCRTR2CYP2C19KDM4EHSD11B1

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 146/4885CYP2C19 147/4885

“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.