SCHEMBL2687623

SCHEMBL2687623

[2H]C([2H])(CCc1ccc(O)c(O)c1)C([2H])(N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.53
KDM4E B2RXH2 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
RECQL P46063 3/20 0.53
HIF1A Q16665 3/20 0.53
HSD17B10 Q99714 3/20 0.53
LCK P06239 2/20 0.53
PTGS1 P23219 2/20 0.53
USP2 O75604 1/20 0.53
EGFR P00533 1/20 0.53
FYN P06241 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
HTR2A P28223 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC7A5 Q01650 1/20 0.53
IGF1R P08069 6/20 0.51
KDM6B O15054 1/20 0.46
MAPT P10636 4/20 0.45
ADRA2A P08913 2/20 0.45
DRD2 P14416 2/20 0.45

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
SCHEMBL2687611 0.91 KDM4E (0.55) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL4196089 0.88 ALOX15 (0.53) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL17363248 0.88 ALOX15 (0.53) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL4204466 0.87 ALOX15 (0.54) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL17363255 0.85 KDM4E (0.55) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL4200440 0.85 KDM4E (0.55) ALOX15KDM4ETDP1RECQLHIF1A
SCHEMBL4200437 0.83 KDM4E (0.57) ALOX15KDM4ETDP1RECQLHIF1A
Levodopa SCHEMBL18960581 0.83 TDP1 (0.60) ALOX15KDM4ETDP1RECQLHIF1A
Levodopa SCHEMBL2688586 0.83 TDP1 (0.60) ALOX15KDM4ETDP1RECQLHIF1A
Levodopa SCHEMBL18960587 0.83 TDP1 (0.60) ALOX15KDM4ETDP1RECQLHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376117-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-12-31 US claimed
US-8168820-B2 Deuterated catecholamine derivatives and medicaments comprising said compounds BDD BEROLINA DRUG DEVELOPMENT GMBH (DE) 2012-05-01 US claimed
US-20210094904-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INT GMBH (CH) 2021-04-01 US disclosed
US-9567289-B2 Position-specific asymmetric deuterium enriched catecholamine derivatives and medicaments comprising said compounds RATIOPHARM GMBH (DE) 2017-02-14 US disclosed
US-20150376117-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-12-31 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 (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-20210094904-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS COMT, CHRM1, ADRB3 ALOX15 1079/4885KDM4E 2620/4885TDP1 1101/4885
US-20150376117-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS COMT, DBH, DDT ALOX15 1051/4885KDM4E 2760/4885TDP1 1074/4885

“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.