SCHEMBL3369115

SCHEMBL3369115

O=C(Cc1ccccc1)N1CCCC1c1nnc(-c2ccncc2)o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.52
HCRTR2 O43614 8/20 0.52
CYP2C19 P33261 1/20 0.44
SCD O00767 1/20 0.43
USP30 Q70CQ3 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
DPP4 P27487 1/20 0.43
CPT1A P50416 1/20 0.43
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PKM P14618 1/20 0.42
DAGLB Q8NCG7 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL3366080 0.94 HCRTR1 (0.55) HCRTR1HCRTR2USP30AADATDPP4
SCHEMBL3368901 0.87 HCRTR1 (0.51) HCRTR1HCRTR2USP30DPP4CPT1A
SCHEMBL3370569 0.86 HCRTR1 (0.47) HCRTR1HCRTR2CYP2C19SCDDPP4
SCHEMBL3365251 0.83 HCRTR1 (0.48) HCRTR1HCRTR2CYP2C19TNKSPARP1
SCHEMBL3366910 0.83 CYP2C19 (0.49) HCRTR1HCRTR2CYP2C19L3MBTL1
SCHEMBL3370560 0.83 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3370196 0.82 HCRTR1 (0.56) HCRTR1HCRTR2USP30CPT1ATNKS
SCHEMBL3367532 0.80 HCRTR1 (0.47) HCRTR1HCRTR2CYP2C19TNKSPARP1
SCHEMBL3370370 0.80 HCRTR1 (0.60) HCRTR1HCRTR2SCDUSP30DPP4
SCHEMBL3364311 0.79 CYP2C19 (0.52) HCRTR1HCRTR2CYP2C19

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 146/4885CYP2C19 147/4885

“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.