SCHEMBL23218498

SCHEMBL23218498

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cc(C#N)cc(C4CC4)c3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 4/20 0.39
TBXAS1 P24557 1/20 0.34
MAPK1 P28482 2/20 0.33
PPARD Q03181 2/20 0.32
HTT P42858 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
F11 P03951 3/20 0.31
KLKB1 P03952 3/20 0.31
F2 P00734 2/20 0.31
F9 P00740 2/20 0.31

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
SCHEMBL29852769 1.00 CFD (0.39) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL29853146 0.95 CFD (0.37) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL29852523 0.95 CFD (0.37) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL23219128 0.95 CFD (0.37) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL23218774 0.95 CFD (0.37) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL23219205 0.89 CFD (0.41) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL29852724 0.89 CFD (0.41) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL29121929 0.88 CFD (0.40) CFDTBXAS1MAPK1PPARDHTT
SCHEMBL23219142 0.88 CFD (0.49) CFDTBXAS1F11KLKB1F2
SCHEMBL29852684 0.88 CFD (0.49) CFDTBXAS1F11KLKB1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 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-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CFD 4300/4885TBXAS1 2067/4885MAPK1 2390/4885

“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.