SCHEMBL3369944

SCHEMBL3369944

C=CCCC(=O)N1CCCC1c1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 2/20 0.45
ALOX15B O15296 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HCRTR1 O43613 8/20 0.43
HCRTR2 O43614 7/20 0.43
RAB9A P51151 2/20 0.42
CPT1A P50416 1/20 0.41
PRCP P42785 1/20 0.41
ENPP2 Q13822 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL3366732 0.90 HCRTR1 (0.52) HSD11B1ALDH1A1HCRTR1HCRTR2RAB9A
SCHEMBL3369975 0.87 HSD11B1 (0.52) HSD11B1ALDH1A1ALOX15BSMN1; SMN2HCRTR1
SCHEMBL3366654 0.82 HSD11B1 (0.51) HSD11B1ALDH1A1ALOX15BSMN1; SMN2HCRTR1
SCHEMBL3370351 0.82 HSD11B1 (0.54) HSD11B1ALDH1A1ALOX15BSMN1; SMN2HCRTR1
SCHEMBL3364808 0.80 HCRTR1 (0.49) HCRTR1HCRTR2RAB9ATNKSPARP1
SCHEMBL3368901 0.79 HCRTR1 (0.51) HSD11B1ALDH1A1ALOX15BSMN1; SMN2HCRTR1
SCHEMBL3366773 0.78 CPT1A (0.66) HSD11B1CPT1A
SCHEMBL3366749 0.78 HSD11B1 (0.52) HSD11B1ALDH1A1ALOX15BSMN1; SMN2HCRTR1
SCHEMBL3365286 0.77 CPT1A (0.61) HSD11B1HCRTR1HCRTR2CPT1A
SCHEMBL30867244 0.76 TSHR (0.60) HSD11B1ALDH1A1HCRTR1HCRTR2MEN1

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 HSD11B1 545/4885ALDH1A1 510/4885ALOX15B 1392/4885

“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.