SCHEMBL21628496

SCHEMBL21628496

CCCCCCc1ccc(Oc2ccc(C(=O)N(C)C)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 2/20 0.49
▸ OPRM1 P35372 7/20 0.48
▸ OPRD1 P41143 7/20 0.48
▸ OPRK1 P41145 6/20 0.48
▸ THRA P10827 2/20 0.46
▸ THRB P10828 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44

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
SCHEMBL21628729 0.99 OPRM1 (0.49) PLA2G4AOPRM1OPRD1OPRK1THRA
SCHEMBL21628697 0.95 OPRM1 (0.50) PLA2G4AOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL21628572 0.90 OPRM1 (0.52) OPRM1OPRD1OPRK1ALDH1A1HPGD
SCHEMBL21656855 0.87 RARB (0.57) PLA2G4AOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL21628559 0.86 OPRM1 (0.64) OPRM1OPRD1OPRK1THRATHRB
SCHEMBL21656510 0.85 GRM2 (0.56) PLA2G4AOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL21628611 0.85 ALDH1A1 (0.51) OPRM1OPRD1OPRK1ALDH1A1HPGD
SCHEMBL21628779 0.85 ALDH1A1 (0.63) PLA2G4ATHRATHRBALDH1A1HPGD
SCHEMBL21656682 0.85 MAPT (0.55) OPRM1OPRD1OPRK1SMN1; SMN2GRIN2D
SCHEMBL21628719 0.84 OPRM1 (0.65) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 — — US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 — — US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 — — US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 — — US disclosed
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 — — US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 — — 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 (7 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885OPRM1 3978/4885OPRD1 2899/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885OPRM1 3978/4885OPRD1 2899/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PLA2G4A 4706/4885OPRM1 4075/4885OPRD1 3247/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885OPRM1 3978/4885OPRD1 2899/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PLA2G4A 4521/4885OPRM1 817/4885OPRD1 706/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885OPRM1 3978/4885OPRD1 2899/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PLA2G4A 4624/4885OPRM1 3978/4885OPRD1 2899/4885

“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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