SCHEMBL15535752

SCHEMBL15535752

N#Cc1cc(O)c(O)c(C#N)c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.47
ADORA1 P30542 1/20 0.45
CNR2 P34972 2/20 0.44
MAPT P10636 1/20 0.44
CTSS P25774 3/20 0.44
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CTSK P43235 4/20 0.39
KCNH2 Q12809 1/20 0.39
XDH P47989 1/20 0.38
PGR P06401 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 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
SCHEMBL29391741 0.86 AR (0.50) ARADORA1MAPTCTSSKDM4E
SCHEMBL15535613 0.85 KIF11 (0.44) ARADORA1MAPTALDH1A1PGR
SCHEMBL15535744 0.80 XDH (0.44) ARADORA1CNR2XDH
SCHEMBL15535006 0.79 MAOA (0.44) ADORA1CNR2MAPTKDM4EALDH1A1
SCHEMBL14148807 0.79 CTSS (0.55) ADORA1CNR2MAPTCTSSKDM4E
SCHEMBL15535086 0.79 AR (0.43) ARADORA1CNR2KDM4EALDH1A1
SCHEMBL16969044 0.77 CNR2 (0.43) ARADORA1CNR2
SCHEMBL15535956 0.76 LRRK2 (0.41) ARADORA1CNR2CTSSCTSK
SCHEMBL15535705 0.76 KDM4E (0.39) ARMAPTCTSSKDM4EALDH1A1
SCHEMBL15534959 0.76 ADORA1 (0.47) ADORA1CNR2XDH

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
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP claimed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US claimed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US claimed
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 US disclosed
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2020-11-12 US disclosed
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2019-01-31 US disclosed
US-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-06-15 US disclosed
EP-2855426-B1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2017-01-04 EP disclosed
US-9458128-B2 Catechol O-methyltransferase activity inhibiting compounds ORION CORPORATION (FI) 2016-10-04 US disclosed
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2015-08-06 US disclosed
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP disclosed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 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 (5 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-20170165219-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885ADORA1 1455/4885CNR2 3371/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885ADORA1 1455/4885CNR2 3371/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885ADORA1 1455/4885CNR2 3371/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885ADORA1 1455/4885CNR2 3371/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT AR 1837/4885ADORA1 1455/4885CNR2 3371/4885

“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.