SCHEMBL3367281

SCHEMBL3367281

O=C(CCC1CCCC1)N1CCCC1c1nnc(-c2cccc(Cl)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.57
HCRTR2 O43614 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
F2 P00734 1/20 0.50
GRM5 P41594 4/20 0.46
USP30 Q70CQ3 2/20 0.44
POLB P06746 1/20 0.44
TNKS O95271 1/20 0.43
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL6167820 0.94 HCRTR1 (0.54) HCRTR1HCRTR2SMN1; SMN2TP53ALDH1A1
SCHEMBL3370192 0.88 HCRTR1 (0.52) HCRTR1HCRTR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3367060 0.87 HCRTR1 (0.59) HCRTR1HCRTR2SMN1; SMN2TP53ALDH1A1
SCHEMBL13114280 0.81 POLB (0.61) HCRTR1HCRTR2SMN1; SMN2TP53ALDH1A1
SCHEMBL3369975 0.76 HSD11B1 (0.52) HCRTR1HCRTR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3370128 0.75 HCRTR1 (0.59) HCRTR1HCRTR2SMN1; SMN2TP53ALDH1A1
SCHEMBL3368901 0.75 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2ALDH1A1USP30
SCHEMBL3366754 0.74 HCRTR1 (0.60) HCRTR1HCRTR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3369944 0.74 HSD11B1 (0.50) HCRTR1HCRTR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3366654 0.73 HSD11B1 (0.51) HCRTR1HCRTR2SMN1; SMN2ALDH1A1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 HCRTR1 461/4885HCRTR2 146/4885SMN1; 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.