SCHEMBL4227167

SCHEMBL4227167

CC(C)(C)c1ccc(-c2noc(CC3CC[CH]CC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.52
RECQL P46063 1/20 0.52
TP53 P04637 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
KLF5 Q13887 2/20 0.51
NPC1 O15118 6/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
LMNA P02545 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45

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 0.83 RAB9A (0.57) RAB9AALDH1A1TSHRRECQLSMN1; SMN2
SCHEMBL4232233 0.76 RAB9A (0.50) RAB9AALDH1A1TSHRRECQLTP53
SCHEMBL157198 0.76 RAB9A (0.62) RAB9AALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL4221984 0.75 RAB9A (0.43) RAB9AALDH1A1TSHRRECQLTP53
SCHEMBL95162 0.75 RAB9A (0.64) RAB9AALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL2245578 0.75 TP53 (0.60) RAB9AALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL95161 0.75 TP53 (0.64) RAB9AALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL4223217 0.73 RAB9A (0.55) RAB9AALDH1A1TSHRRECQLSMN1; SMN2
SCHEMBL4233777 0.73 RAB9A (0.55) RAB9AALDH1A1TSHRRECQLSMN1; SMN2
SCHEMBL4229302 0.73 RAB9A (0.60) RAB9AALDH1A1TSHRRECQLTP53

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 4288/4885ALDH1A1 947/4885TSHR 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.