SCHEMBL3370582

SCHEMBL3370582

O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC1c1nnc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.53
HCRTR2 O43614 8/20 0.53
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
USP30 Q70CQ3 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GRM5 P41594 1/20 0.42
GSK3B P49841 1/20 0.42
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
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
SCHEMBL3366980 0.98 HCRTR1 (0.54) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366901 0.91 HCRTR1 (0.61) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366727 0.90 MAPT (0.49) HCRTR1HCRTR2ALDH1A1MAPK1MAPT
SCHEMBL3366195 0.86 HCRTR1 (0.56) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366837 0.85 HCRTR1 (0.50) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL3367896 0.83 HCRTR1 (0.62) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3365300 0.83 HCRTR1 (0.56) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL3367000 0.82 HCRTR1 (0.54) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3366959 0.82 HCRTR1 (0.56) HCRTR1HCRTR2NPC1TSHRRAB9A
SCHEMBL3367335 0.81 HCRTR1 (0.61) HCRTR1HCRTR2NPC1TSHRRAB9A

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.