SCHEMBL3370227

SCHEMBL3370227

CCCc1ccc(C(=O)N2CCCC2c2nnc(-c3cccs3)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GRM5 P41594 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCRTR1 O43613 6/20 0.41
HCRTR2 O43614 5/20 0.41
GLA P06280 1/20 0.41
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
SCHEMBL3366997 0.86 LMNA (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3366762 0.84 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3367000 0.83 HCRTR1 (0.54) NPC1RAB9ASMN1; SMN2GRM5TP53
SCHEMBL3369463 0.83 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3368657 0.82 HCRTR1 (0.51) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL3368074 0.81 GRM5 (0.52) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3366855 0.81 GRM5 (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3368060 0.80 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3366100 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3367283 0.80 HCRTR1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 NPC1 4103/4885RAB9A 3699/4885SMN1; SMN2 1832/4885

“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.