SCHEMBL15534847

SCHEMBL15534847

CCCCCCNc1c(C#N)cc(OC)c(OC(=O)OC(C)(C)C)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
ENPP1 P22413 2/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 5/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MGLL Q99685 2/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL29391518 1.00 HTR1A (0.36) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL15534903 0.94 ALOX5 (0.34) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL16969059 0.92 HTR1A (0.40) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL29391980 0.89 GAA (0.36) ENPP1KDM4ETP53MAPTALDH1A1
SCHEMBL15535973 0.89 GAA (0.36) ENPP1KDM4ETP53MAPTALDH1A1
SCHEMBL29391508 0.87 ALDH1A1 (0.39) ENPP1SRCKDM4EALDH1A1HPGD
SCHEMBL15535829 0.87 ALDH1A1 (0.39) ENPP1SRCKDM4EALDH1A1HPGD
SCHEMBL16969060 0.87 HTR1A (0.39) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL15535452 0.81 ALDH1A1 (0.35) ENPP1KDM4EALDH1A1HPGDGAA
SCHEMBL15535615 0.81 ALDH1A1 (0.33) ENPP1TP53MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR1A 314/4885HTR2C 638/4885HTR2A 591/4885
US-20200352898-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HTR1A 314/4885HTR2C 638/4885HTR2A 591/4885
US-20190029990-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HTR1A 314/4885HTR2C 638/4885HTR2A 591/4885
US-20150218124-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HTR1A 314/4885HTR2C 638/4885HTR2A 591/4885
US-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT HTR1A 314/4885HTR2C 638/4885HTR2A 591/4885

“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.