SCHEMBL3369795

SCHEMBL3369795

CC(C)(C)CC(=O)N1CCCC1c1nnc(-c2ccccc2)o1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.58
HCRTR2 O43614 10/20 0.58
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP30 Q70CQ3 1/20 0.47
DPP4 P27487 1/20 0.46
HSD11B1 P28845 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL3366654 0.89 HSD11B1 (0.51) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL3366080 0.84 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1USP30DPP4
SCHEMBL3369475 0.84 HCRTR1 (0.61) HCRTR1HCRTR2TSHRUSP30DPP4
SCHEMBL3370192 0.84 HCRTR1 (0.52) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL3370370 0.84 HCRTR1 (0.60) HCRTR1HCRTR2TSHRUSP30DPP4
SCHEMBL4955775 0.83 ALDH1A1 (0.60) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL4955786 0.83 ALDH1A1 (0.60) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL3370210 0.83 NPC1 (0.52) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL6068996 0.83 HCRTR1 (0.54) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL3369456 0.83 HCRTR1 (0.54) HCRTR1HCRTR2ALDH1A1MEN1KMT2A

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 146/4885TSHR 3486/4885

“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.