SCHEMBL3368137

SCHEMBL3368137

O=C(c1cccc([N+](=O)[O-])c1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HCRTR1 O43613 11/20 0.49
HCRTR2 O43614 11/20 0.49
KDM4E B2RXH2 4/20 0.48
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GRM5 P41594 1/20 0.43
GFER P55789 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3366208 0.84 HCRTR1 (0.49) ALDH1A1HCRTR1HCRTR2HTTSMN1; SMN2
SCHEMBL3366980 0.82 HCRTR1 (0.54) MAPTALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL3370582 0.80 HCRTR1 (0.53) MAPTALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL3366688 0.80 GRM5 (0.55) HCRTR1HCRTR2GRM5
SCHEMBL3366758 0.80 HCRTR1 (0.52) HCRTR1HCRTR2GRM5
SCHEMBL3367869 0.79 HCRTR1 (0.59) ALDH1A1HCRTR1HCRTR2KDM4ESMN1; SMN2
SCHEMBL3366727 0.79 MAPT (0.49) MAPTMEN1KMT2AALDH1A1HCRTR1
SCHEMBL3368643 0.78 HCRTR1 (0.53) HCRTR1HCRTR2GRM5
SCHEMBL3365300 0.78 HCRTR1 (0.56) MAPTALDH1A1HCRTR1HCRTR2KDM4E
SCHEMBL3367286 0.77 HCRTR1 (0.49) MAPTHCRTR1HCRTR2GRM5

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 MAPT 1363/4885MEN1 4856/4885KMT2A 2518/4885

“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.