SCHEMBL3370232

SCHEMBL3370232

CC(Oc1ccccc1)C(=O)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ADCY1 Q08828 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
GRM5 P41594 2/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 3/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
OPRK1 P41145 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADAM17 P78536 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3366100 0.82 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3366703 0.77 NPC1 (0.51) RAB9ANPC1ADCY1ALDH1A1KDM4E
SCHEMBL3369463 0.77 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3370210 0.76 NPC1 (0.52) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3364221 0.75 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL6068885 0.74 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3366997 0.74 LMNA (0.48) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3368060 0.74 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3366252 0.74 NPC1 (0.45) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL3370227 0.73 NPC1 (0.47) RAB9ANPC1ALDH1A1KDM4EHPGD

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 RAB9A 3699/4885NPC1 4103/4885ADCY1 2064/4885

“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.