SCHEMBL3370256

SCHEMBL3370256

O=C(c1ccno1)N1CCCC1c1nnc(-c2cccnc2)o1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 15/20 0.49
HCRTR1 O43613 15/20 0.49
ALDH1A1 P00352 1/20 0.49
SCD O00767 1/20 0.48
KCNH2 Q12809 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
SCHEMBL3368236 0.84 ALDH1A1 (0.56) HCRTR2HCRTR1ALDH1A1SCDKCNH2
SCHEMBL3366568 0.83 ALDH1A1 (0.54) HCRTR2HCRTR1ALDH1A1
SCHEMBL3370671 0.82 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1SCDKCNH2
SCHEMBL3370346 0.82 HCRTR2 (0.52) HCRTR2HCRTR1ALDH1A1SCD
SCHEMBL3367585 0.82 SCD (0.57) HCRTR2HCRTR1ALDH1A1SCD
SCHEMBL3366115 0.80 HCRTR1 (0.58) HCRTR2HCRTR1ALDH1A1SCD
SCHEMBL3366084 0.80 HCRTR2 (0.57) HCRTR2HCRTR1ALDH1A1
SCHEMBL3366684 0.80 HCRTR2 (0.50) HCRTR2HCRTR1ALDH1A1SCD
SCHEMBL3369488 0.79 HCRTR2 (0.49) HCRTR2HCRTR1ALDH1A1SCD
SCHEMBL16464975 0.79 HCRTR1 (0.61) HCRTR2HCRTR1ALDH1A1SCD

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 HCRTR2 146/4885HCRTR1 461/4885ALDH1A1 510/4885

“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.