SCHEMBL4221595

SCHEMBL4221595

CCOC(=O)C=C1CCC(C(CCc2ccccc2)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ LTB4R Q15722 2/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ ACE P12821 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1326681 0.82 MAPT (0.41) LTB4RL3MBTL1MAPTSMN1; SMN2ACE
SCHEMBL1326680 0.82 MAPT (0.41) LTB4RL3MBTL1MAPTSMN1; SMN2ACE
SCHEMBL1327835 0.80 ESR2 (0.50) ESR2L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL493154 0.76 SMN1; SMN2 (0.45) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1326606 0.76 ALOX5 (0.43) L3MBTL1SMN1; SMN2POLBALDH1A1TDP1
SCHEMBL493628 0.76 POLB (0.37) L3MBTL1POLBTSHR
SCHEMBL493155 0.76 SMN1; SMN2 (0.50) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29240499 0.73 ESR2 (0.56) ESR2L3MBTL1MAPTALDH1A1TSHR
SCHEMBL493503 0.73 SLC18A3 (0.35) MAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL1171537 0.72 ESR2 (0.78) ESR2L3MBTL1MAPTSMN1; SMN2ALDH1A1

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 ESR2 300/4885LTB4R 428/4885LTB4R2 409/4885

“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.

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