SCHEMBL20721725

SCHEMBL20721725

O=C1CC[C@H](c2ccc3ccccc3c2)O1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.48
▸ SLC6A2 P23975 7/20 0.48
▸ SLC6A3 Q01959 6/20 0.48
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP2D6 P10635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL30874306 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM4ECYP2D6
SCHEMBL5632682 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM4ECYP2D6
SCHEMBL29870462 1.00 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3KDM4ECYP2D6
SCHEMBL9012682 0.78 TSHR (0.46) KDM4ETSHR
SCHEMBL7339250 0.78 TSHR (0.46) KDM4ETSHR
SCHEMBL982856 0.78 TSHR (0.46) KDM4ETSHR
SCHEMBL7259690 0.76 MEN1 (0.44) KDM4E
SCHEMBL28730834 0.76 MEN1 (0.44) KDM4E
SCHEMBL3152410 0.75 CYP2A6 (0.38) SLC6A4SLC6A2SLC6A3DRD2KCNH2
SCHEMBL9099294 0.75 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 — — US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 — — US claimed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 — — EP claimed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 — — WO claimed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 — — US claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 — — US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 — — US disclosed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 — — US disclosed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 — — WO disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 — — US disclosed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 — — 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 (2 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-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT SLC6A4 221/4885SLC6A2 97/4885SLC6A3 1010/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT SLC6A4 261/4885SLC6A2 106/4885SLC6A3 1084/4885

“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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