SCHEMBL3368060

SCHEMBL3368060

O=C(c1ccco1)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GRM5 P41594 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 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
SCHEMBL3366247 0.83 HCRTR1 (0.58) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL3366997 0.82 LMNA (0.48) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL3369372 0.81 HSD11B1 (0.51) ALDH1A1LMNAMAPTSMN1; SMN2HCRTR1
SCHEMBL3370227 0.80 NPC1 (0.47) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL3366813 0.80 HCRTR1 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL3368074 0.80 GRM5 (0.52) ALDH1A1KDM4ENPC1RAB9AGRM5
SCHEMBL3366252 0.80 NPC1 (0.45) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL3367283 0.80 HCRTR1 (0.54) ALDH1A1KDM4ENPC1RAB9AGRM5
SCHEMBL3366855 0.79 GRM5 (0.48) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL3368249 0.79 HCRTR1 (0.48) ALDH1A1KDM4ENPC1RAB9AGRM5

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 ALDH1A1 510/4885KDM4E 1219/4885MEN1 4856/4885

“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.