SCHEMBL15535013

SCHEMBL15535013

CCc1ccc(Sc2c(C#N)cc(O)c(O)c2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
SNCA P37840 1/20 0.35
MAOB P27338 6/20 0.35
MAOA P21397 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.33
DAO P14920 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PDE9A O76083 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
AR P10275 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL15535981 0.85 AR (0.44) CYP2A6MAOBMAOAL3MBTL1AR
SCHEMBL15535107 0.85 MCL1 (0.43) MAOBMAOAL3MBTL1ESR1ESR2
SCHEMBL15535912 0.83 RXRA (0.41) SNCAMAOBMAOAHPGD
SCHEMBL15534682 0.83 MAOA (0.42) MAOBMAOAESR1ESR2AR
SCHEMBL15535583 0.82 CYP1A2 (0.40) MAOBMAOAESR1ESR2AR
SCHEMBL15536328 0.82 MAOA (0.50) MAOBMAOAL3MBTL1ESR1ESR2
SCHEMBL15548975 0.81 MAOA (0.46) MAOBMAOAL3MBTL1ESR1ESR2
SCHEMBL15536089 0.81 FFAR1 (0.42)
SCHEMBL15535281 0.81 MAOB (0.43) MAOBMAOAARCYP3A4CYP2C9
SCHEMBL15534922 0.80 MAPT (0.40) CYP1A2CYP3A4CYP2C9HPGDCYP2C19

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-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
EP-2855426-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS Orion Corporation (FI) 2015-04-08 EP claimed
WO-2013175053-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORPORATION (FI) 2013-11-28 WO 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 CYP2A6 60/4885SNCA 2196/4885MAOB 14/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP2A6 60/4885SNCA 2196/4885MAOB 14/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP2A6 60/4885SNCA 2196/4885MAOB 14/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP2A6 60/4885SNCA 2196/4885MAOB 14/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CYP2A6 60/4885SNCA 2196/4885MAOB 14/4885

“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.