SCHEMBL3365300

SCHEMBL3365300

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC1c1nnc(-c2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.56
HCRTR2 O43614 14/20 0.56
HSD11B1 P28845 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 0.85 HCRTR1 (0.54) HCRTR1HCRTR2HSD11B1KDM4ECPT2
SCHEMBL3368259 0.85 HCRTR1 (0.63) HCRTR1HCRTR2HSD11B1
SCHEMBL3370582 0.83 HCRTR1 (0.53) HCRTR1HCRTR2KDM4ECPT2CPT1A
SCHEMBL3366727 0.80 MAPT (0.49) HCRTR1HCRTR2HSD11B1ALDH1A1MAPT
SCHEMBL3365094 0.78 HCRTR1 (0.58) HCRTR1HCRTR2HSD11B1
SCHEMBL3368137 0.78 MAPT (0.52) HCRTR1HCRTR2LMNAKDM4ENPC1
SCHEMBL3366076 0.78 HCRTR1 (0.57) HCRTR1HCRTR2HSD11B1
SCHEMBL3366959 0.77 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1NPC1ALDH1A1
SCHEMBL3369482 0.76 HCRTR1 (0.56) HCRTR1HCRTR2HSD11B1
SCHEMBL3370370 0.76 HCRTR1 (0.60) HCRTR1HCRTR2HSD11B1NPC1RAB9A

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 146/4885HSD11B1 545/4885

“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.