SCHEMBL3370370

SCHEMBL3370370

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.60
HCRTR2 O43614 9/20 0.60
USP30 Q70CQ3 1/20 0.54
DPP4 P27487 1/20 0.50
HSD11B1 P28845 2/20 0.48
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SCD5 Q86SK9 2/20 0.44
SCD O00767 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
SCHEMBL3366778 0.97 HCRTR1 (0.58) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL3369475 0.90 HCRTR1 (0.61) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL3366768 0.89 HCRTR1 (0.57) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL3659576 0.89 HCRTR1 (0.50) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL3368236 0.88 ALDH1A1 (0.56) HCRTR1HCRTR2USP30RAB9ASCD
SCHEMBL3366901 0.87 HCRTR1 (0.61) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL3366080 0.86 HCRTR1 (0.55) HCRTR1HCRTR2USP30DPP4HSD11B1
SCHEMBL4955786 0.85 ALDH1A1 (0.60) HCRTR1HCRTR2TSHR
SCHEMBL4955775 0.85 ALDH1A1 (0.60) HCRTR1HCRTR2TSHR
SCHEMBL3368150 0.84 HCRTR1 (0.67) HCRTR1HCRTR2USP30NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 US disclosed
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 (2 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 146/4885USP30 3920/4885
US-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP HCRTR1 3869/4885HCRTR2 4436/4885USP30 2406/4885

“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.