SCHEMBL17973865

SCHEMBL17973865

O=C(c1cccc(Cl)c1Cl)N1CCC(S(=O)(=O)c2ccc(O)c3ncccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 9/20 0.60
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ FTO Q9C0B1 2/20 0.45
▸ PAK1 Q13153 1/20 0.43
▸ MGLL Q99685 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40

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
SCHEMBL17962288 0.84 MAPT (0.44) COMTGAAKDM4EPAK1MGLL
SCHEMBL30574416 0.81 COMT (0.60) COMTGAAKDM4EFTOBRD4
SCHEMBL17962340 0.81 COMT (0.60) COMTGAAKDM4EFTOBRD4
SCHEMBL17962272 0.76 COMT (1.00) COMTKDM4EFTO
SCHEMBL17962304 0.75 COMT (0.97) COMTKDM4EFTO
SCHEMBL17960014 0.73 COMT (0.79) COMTKDM4EFTO
SCHEMBL17962404 0.73 COMT (0.79) COMTKDM4EFTO
SCHEMBL17962276 0.72 COMT (0.67) COMTKDM4EFTOLMNAHSP90AA1
SCHEMBL30574423 0.71 COMT (0.64) COMTKDM4EFTOLMNAMAPT
SCHEMBL17962396 0.71 COMT (0.64) COMTKDM4EFTOMAPT

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 8 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
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 — — EP disclosed
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-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — US disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 — — 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 (3 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 1/4885GAA 29/4885KDM4E 1957/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA COMT 1/4885GAA 29/4885KDM4E 1957/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA COMT 1/4885GAA 29/4885KDM4E 1957/4885

“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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