SCHEMBL3366997

SCHEMBL3366997

O=C(c1ccc(Cl)cc1)N1CCCC1c1nnc(-c2cccs2)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HCRTR1 O43613 7/20 0.47
HCRTR2 O43614 5/20 0.47
GRM5 P41594 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
HSD11B1 P28845 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL3367283 0.89 HCRTR1 (0.54) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3366855 0.89 GRM5 (0.48) LMNATSHRHTTHCRTR1HCRTR2
SCHEMBL3368074 0.87 GRM5 (0.52) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3370227 0.86 NPC1 (0.47) LMNATSHRHTTHCRTR1HCRTR2
SCHEMBL3368249 0.83 HCRTR1 (0.48) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3368060 0.82 ALDH1A1 (0.46) LMNAHTTHCRTR1HCRTR2GRM5
SCHEMBL3368220 0.82 HCRTR1 (0.51) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3366730 0.82 GRM5 (0.44) HCRTR1HCRTR2GRM5NPC1RAB9A
SCHEMBL3366195 0.82 HCRTR1 (0.56) TSHRHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3366100 0.80 NPC1 (0.50) LMNAHTTHCRTR1HCRTR2GRM5

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 LMNA 3490/4885TSHR 3486/4885HTT 1165/4885

“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.