SCHEMBL6901598

SCHEMBL6901598

O=c1ccn(-c2cc(F)cc(Oc3cccnc3)c2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.57
COMT P21964 9/20 0.47
GRM5 P41594 1/20 0.44
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.39
DAO P14920 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
SCHEMBL22878691 0.84 FFAR4 (0.55) FFAR4COMTGRM5LMNATDP1
SCHEMBL5104261 0.76 GRM5 (0.60) FFAR4GRM5LMNATDP1
SCHEMBL1724866 0.72 FFAR4 (1.00) FFAR4GRM5LMNATDP1HTT
SCHEMBL2432361 0.70 FFAR4 (0.51) FFAR4GRM5LMNATDP1HTT
SCHEMBL6682430 0.70 GRM5 (0.62) FFAR4GRM5LMNATDP1
SCHEMBL6901927 0.70 COMT (0.69) COMT
SCHEMBL2432363 0.68 FFAR4 (0.51) FFAR4GRM5LMNATDP1HTT
SCHEMBL4466315 0.68 FFAR4 (0.53) FFAR4GRM5LMNATDP1HTT
SCHEMBL4457253 0.68 LMNA (0.56) FFAR4GRM5LMNATDP1HTT
SCHEMBL1720331 0.68 ALDH1A1 (0.59) FFAR4GRM5LMNATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US claimed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-9399651-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders Merck, Sharp & Dohme Corp. (US) 2016-07-26 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-9024032-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2015-05-05 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-04-04 US disclosed
WO-2011109254-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 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 (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-20150299227-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT FFAR4 4452/4885COMT 1/4885GRM5 335/4885
US-20130084346-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT FFAR4 4452/4885COMT 1/4885GRM5 335/4885

“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.