SCHEMBL22460317

SCHEMBL22460317

CCO[C@@H](N)[C@@H](O)c1cc(O)c(O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 2/20 0.50
▸ ADRA2B P18089 2/20 0.50
▸ ADRA2C P18825 2/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ ADRB2 P07550 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TDP1 Q9NUW8 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ RECQL P46063 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ RAD52 P43351 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ MAPK1 P28482 1/20 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
SCHEMBL9089541 0.75 ADRA1A (0.55) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL9089549 0.75 ADRA1A (0.55) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL16216157 0.70 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL13158583 0.67 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL1691820 0.67 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL15631290 0.64 ADRA1A (0.54) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL5393005 0.64 BCHE (0.33) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL20366920 0.63 CYP2D6 (0.37) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL12287584 0.62 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2
SCHEMBL6285589 0.62 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299227-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DROXIDOPA AND ITS INTERMEDIATE Piramal Enterprises Limited (IN) 2020-09-24 — — 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 (1 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-20200299227-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF DROXIDOPA AND ITS INTERMEDIATE COMT, DAO, DDO ADRA2A 90/4885ADRA2B 116/4885ADRA2C 76/4885

“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.

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