SCHEMBL3370489

SCHEMBL3370489

O=C(C=CN1CCCC1c1nnc(-c2ccccc2F)o1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.43
HCRTR2 O43614 11/20 0.42
HSD11B1 P28845 1/20 0.41
RAB9A P51151 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A1 P30531 2/20 0.37

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
SCHEMBL3366122 0.87 PKM (0.45) HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3366091 0.78 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL6069012 0.76 HCRTR1 (0.51) HCRTR1HCRTR2RAB9AMAPTNPC1
SCHEMBL3369471 0.74 HCRTR1 (0.54) HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3366137 0.74 USP30 (0.47) HCRTR1HCRTR2HSD11B1RAB9AMAPT
SCHEMBL3368893 0.73 HCRTR1 (0.62) HCRTR1HCRTR2TP53
SCHEMBL6068831 0.72 HCRTR1 (0.49) HCRTR1HCRTR2RAB9AMAPTSMN1; SMN2
SCHEMBL3369474 0.72 HCRTR1 (0.47) HCRTR1HCRTR2RAB9ATP53MAPT
SCHEMBL3367428 0.71 HCRTR1 (0.55) HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3369687 0.70 HCRTR1 (0.62) HCRTR1HCRTR2

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 146/4885HSD11B1 545/4885

“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.