SCHEMBL17962295

SCHEMBL17962295

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(O)c3ncccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 7/20 0.65
▸ KDM4E B2RXH2 4/20 0.64
▸ FTO Q9C0B1 2/20 0.50
▸ DTYMK P23919 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ F13A1 P00488 1/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ TGM1 P22735 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MPI P34949 1/20 0.47

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
SCHEMBL17962273 0.89 COMT (0.68) COMTKDM4EFTOPOLBLMNA
SCHEMBL30574428 0.89 COMT (0.68) COMTKDM4EFTOPOLBLMNA
SCHEMBL25433799 0.84 COMT (0.74) COMTKDM4EFTOPOLBLMNA
SCHEMBL17962413 0.84 COMT (0.50) COMTKDM4EFTODTYMKPOLB
SCHEMBL17962417 0.81 COMT (0.78) COMTKDM4EFTOPOLBLMNA
SCHEMBL31399725 0.80 TSHR (0.50) KDM4EDTYMKPOLBLMNAHTT
SCHEMBL17960049 0.80 COMT (1.00) COMTKDM4EFTOSMN1; SMN2
SCHEMBL17962271 0.79 KDM4E (1.00) COMTKDM4EFTOALDH1A1SMN1; SMN2
SCHEMBL5594397 0.78 MAPT (0.77) KDM4ELMNAHTTALDH1A1GAA
SCHEMBL31399716 0.77 CHRM1 (0.54) KDM4EDTYMKPOLBLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US claimed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US claimed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US claimed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP claimed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US claimed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO claimed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 — — US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 — — EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 — — WO 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 (4 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885FTO 130/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885FTO 130/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885FTO 130/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885KDM4E 1957/4885FTO 130/4885

“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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