SCHEMBL21553563

SCHEMBL21553563

CNCCOCCOCCOCCOCCOCCOCCOCCNC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.39
HTR1D P28221 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
EPHX1 P07099 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL22276504 1.00 HTR1B (0.39) HTR1BHTR1DMEN1KMT2APRMT3
SCHEMBL1254865 1.00 HTR1B (0.39) HTR1BHTR1DMEN1KMT2APRMT3
SCHEMBL22276507 1.00 HTR1B (0.39) HTR1BHTR1DMEN1KMT2APRMT3
SCHEMBL8403572 1.00 HTR1B (0.39) HTR1BHTR1DMEN1KMT2APRMT3
SCHEMBL301651 0.96
SCHEMBL24774285 0.88 EPHX1 (0.38) HTR1BHTR1DMEN1KMT2AEPHX1
SCHEMBL21876827 0.88 KDM4E (0.37) HTR1BHTR1DMEN1KMT2A
SCHEMBL21455985 0.88 HTR1D (0.33) HTR1BHTR1DMEN1KMT2A
SCHEMBL22269102 0.88 ALDH1A1 (0.39) HTR1BHTR1DMEN1KMT2AEPHX1
SCHEMBL24378505 0.88 ALDH1A1 (0.39) HTR1BHTR1DMEN1KMT2AEPHX1

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-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 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-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 HTR1B 2079/4885HTR1D 2270/4885MEN1 3278/4885

“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.