SCHEMBL3366100

SCHEMBL3366100

CCC(CC)C(=O)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 1/20 0.50
GRM5 P41594 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL3369463 0.85 ALDH1A1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3370210 0.82 NPC1 (0.52) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3370232 0.82 RAB9A (0.46) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3366703 0.81 NPC1 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3364221 0.81 ALDH1A1 (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3366749 0.81 HSD11B1 (0.52) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3370227 0.80 NPC1 (0.47) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL6068885 0.80 ALDH1A1 (0.49) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3366997 0.80 LMNA (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3366979 0.80 HCRTR1 (0.51) NPC1RAB9AHCRTR1HCRTR2

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 3699/4885ALDH1A1 510/4885

“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.