SCHEMBL6068822

SCHEMBL6068822

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.56
HCRTR2 O43614 12/20 0.56
RIPK1 Q13546 1/20 0.46
USP30 Q70CQ3 1/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.43
DPP4 P27487 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
SCHEMBL3369475 0.84 HCRTR1 (0.61) HCRTR1HCRTR2USP30TSHRHSD11B1
SCHEMBL4955786 0.84 ALDH1A1 (0.60) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL4955775 0.84 ALDH1A1 (0.60) HCRTR1HCRTR2TSHRALDH1A1LMNA
SCHEMBL3370370 0.82 HCRTR1 (0.60) HCRTR1HCRTR2USP30TSHRHSD11B1
SCHEMBL6068996 0.81 HCRTR1 (0.54) HCRTR1HCRTR2USP30TSHRALDH1A1
SCHEMBL3369795 0.81 HCRTR1 (0.58) HCRTR1HCRTR2USP30TSHRALDH1A1
SCHEMBL3366778 0.80 HCRTR1 (0.58) HCRTR1HCRTR2USP30TSHRALDH1A1
SCHEMBL3366768 0.79 HCRTR1 (0.57) HCRTR1HCRTR2USP30HSD11B1DPP4
SCHEMBL14282826 0.79 HCRTR1 (0.55) HCRTR1HCRTR2USP30TSHRALDH1A1
SCHEMBL3368917 0.78 HCRTR1 (0.58) HCRTR1HCRTR2USP30TSHRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 146/4885RIPK1 4353/4885

“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.