SCHEMBL3369692

SCHEMBL3369692

COc1cccc(-c2nnc(C3CCCN3C(=O)CCc3ccccc3)o2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.59
HCRTR2 O43614 5/20 0.59
LMNA P02545 2/20 0.53
TNKS O95271 2/20 0.50
PARP1 P09874 2/20 0.50
PARP2 Q9UGN5 2/20 0.50
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
USP30 Q70CQ3 1/20 0.46
HTT P42858 1/20 0.45
GRM5 P41594 2/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PRCP P42785 1/20 0.44

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
SCHEMBL3370587 0.88 HCRTR1 (0.57) HCRTR1HCRTR2LMNATNKSPARP1
SCHEMBL3366754 0.88 HCRTR1 (0.60) HCRTR1HCRTR2LMNATNKSPARP1
SCHEMBL3370196 0.88 HCRTR1 (0.56) HCRTR1HCRTR2LMNATNKSPARP1
SCHEMBL3368150 0.86 HCRTR1 (0.67) HCRTR1HCRTR2ALDH1A1USP30GRM5
SCHEMBL3366658 0.86 HCRTR1 (0.59) HCRTR1HCRTR2LMNATNKSPARP1
SCHEMBL3367915 0.85 HCRTR1 (0.62) HCRTR1HCRTR2TNKSPARP1PARP2
SCHEMBL3368078 0.83 HCRTR1 (0.61) HCRTR1HCRTR2ALDH1A1GRM5NPC1
SCHEMBL3367901 0.82 HCRTR1 (0.59) HCRTR1HCRTR2TNKSPARP1PARP2
SCHEMBL3366720 0.82 HCRTR1 (0.65) HCRTR1HCRTR2ALDH1A1GRM5NPC1
SCHEMBL3368153 0.79 HCRTR1 (0.58) HCRTR1HCRTR2TNKSPARP1PARP2

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 146/4885LMNA 3490/4885

“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.