SCHEMBL23218894

SCHEMBL23218894

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3ccnc(CN)c3F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.46
TBXAS1 P24557 1/20 0.38
DPP4 P27487 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ICMT O60725 1/20 0.34
PTGS2 P35354 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32
PTGS1 P23219 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
AHR P35869 1/20 0.31
PLG P00747 1/20 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
SCHEMBL29852545 1.00 CFD (0.46) CFDTBXAS1DPP4MEN1KMT2A
SCHEMBL23218313 0.92 CFD (0.49) CFDTBXAS1DPP4MEN1KMT2A
SCHEMBL29852743 0.92 CFD (0.49) CFDTBXAS1DPP4MEN1KMT2A
SCHEMBL29591566 0.92 CFD (0.42) CFDPOLBICMTPLGPLAU
SCHEMBL23218886 0.92 CFD (0.42) CFDPOLBICMTPLGPLAU
SCHEMBL23219240 0.90 CFD (0.46) CFDTBXAS1DPP4MEN1KMT2A
SCHEMBL29852825 0.90 CFD (0.46) CFDTBXAS1DPP4MEN1KMT2A
SCHEMBL23218974 0.87 CFD (0.49) CFDTBXAS1DPP4ICMTPLG
SCHEMBL29853006 0.87 CFD (0.49) CFDTBXAS1DPP4ICMTPLG
SCHEMBL23218527 0.87 CFD (0.48) CFDTBXAS1DPP4MEN1KMT2A

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 3 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
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 2067/4885DPP4 596/4885

“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.