SCHEMBL4229302

SCHEMBL4229302

Clc1ccc(-c2noc(CCC3CC[CH]CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RECQL P46063 1/20 0.59
SIRT2 Q8IXJ6 2/20 0.56
NOTUM Q6P988 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MITF O75030 1/20 0.51
HTT P42858 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL4217020 0.86 RAB9A (0.57) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL4222144 0.85 RAB9A (0.58) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL4230085 0.80 MAPT (0.46) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL1312869 0.76 RAB9A (0.63) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL28869605 0.75 SIRT2 (0.69) RAB9AL3MBTL1TSHRSMN1; SMN2SIRT2
SCHEMBL4232241 0.75 RAB9A (0.55) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL7152014 0.74 SIRT2 (0.68) RAB9AL3MBTL1TSHRSMN1; SMN2SIRT2
SCHEMBL14735989 0.74 NOTUM (0.76) RAB9AL3MBTL1TSHRSMN1; SMN2SIRT2
SCHEMBL1312376 0.74 RAB9A (0.71) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL
SCHEMBL4226413 0.73 RAB9A (0.45) RAB9AL3MBTL1TSHRSMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589113-B2 Substituted oxadiazole compounds and their use as opioid receptor ligands GRUENENTHAL GMBH (DE) 2009-09-15 US disclosed
US-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-01-01 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-20090005427-A1 SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS OPRM1, OPRD1, OPRK1 RAB9A 4288/4885L3MBTL1 2114/4885TSHR 304/4885

“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.