SCHEMBL3368565

SCHEMBL3368565

CCOc1ccc(C(=O)N2CCCC2c2nnc(-c3cccnc3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HCRTR2 O43614 12/20 0.50
HCRTR1 O43613 11/20 0.50
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 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
SCHEMBL3366748 0.90 ALDH1A1 (0.55) ALDH1A1KDM4EHCRTR2HCRTR1NPC1
SCHEMBL3370346 0.85 HCRTR2 (0.52) ALDH1A1HCRTR2HCRTR1NPC1RAB9A
SCHEMBL3370671 0.85 HCRTR2 (0.49) ALDH1A1HCRTR2HCRTR1
SCHEMBL3368108 0.80 HCRTR2 (0.47) ALDH1A1KDM4EHCRTR2HCRTR1RAB9A
SCHEMBL3369488 0.80 HCRTR2 (0.49) ALDH1A1KDM4EHCRTR2HCRTR1
SCHEMBL3368236 0.80 ALDH1A1 (0.56) ALDH1A1HCRTR2HCRTR1RAB9AMAPK1
SCHEMBL3367335 0.80 HCRTR1 (0.61) ALDH1A1HCRTR2HCRTR1NPC1RAB9A
SCHEMBL3366680 0.79 HCRTR2 (0.49) ALDH1A1KDM4EHCRTR2HCRTR1
SCHEMBL3366115 0.79 HCRTR1 (0.58) ALDH1A1KDM4EHCRTR2HCRTR1LMNA
SCHEMBL3366684 0.79 HCRTR2 (0.50) ALDH1A1HCRTR2HCRTR1

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 ALDH1A1 510/4885KDM4E 1219/4885HCRTR2 146/4885

“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.