SCHEMBL3368231

SCHEMBL3368231

COc1cccc(-c2nnc(C3CCCN3S(=O)(=O)Cc3c(C)cc(OC)c(C)c3C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.48
HCRTR2 O43614 5/20 0.48
MAPK1 P28482 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
LRRK2 Q5S007 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL3366667 0.76 KDM4E (0.43) HCRTR1HCRTR2MAPK1RAB9AGAA
SCHEMBL3370780 0.74 CYP2C19 (0.41) HCRTR1HCRTR2RAB9ASMN1; SMN2MAPT
SCHEMBL3367004 0.74 CYP2C19 (0.41) HCRTR1HCRTR2RAB9ASMN1; SMN2MAPT
SCHEMBL6169190 0.73 MAPT (0.39) HCRTR1HCRTR2MAPK1SMN1; SMN2MAPT
SCHEMBL3367915 0.71 HCRTR1 (0.62) HCRTR1HCRTR2MAPK1RAB9AGAA
SCHEMBL3366078 0.71 HCRTR1 (0.46) HCRTR1HCRTR2RAB9AMAPTPOLB
SCHEMBL3368150 0.71 HCRTR1 (0.67) HCRTR1HCRTR2MAPK1RAB9AMAPT
SCHEMBL3366618 0.70 SMN1; SMN2 (0.41) RAB9AGAASMN1; SMN2MAPTTSHR
SCHEMBL3367278 0.70 MAPT (0.43) HCRTR1HCRTR2RAB9AMAPTNPC1
SCHEMBL3368153 0.70 HCRTR1 (0.58) HCRTR1HCRTR2MAPK1RAB9AGAA

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 146/4885MAPK1 2380/4885

“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.