SCHEMBL17537993

SCHEMBL17537993

NCCCCCc1ccc(CCCN)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MPO P05164 3/20 0.46
SLC6A4 P31645 2/20 0.46
HRH1 P35367 4/20 0.46
CHEK1 O14757 1/20 0.44
TLR8 Q9NR97 3/20 0.42

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
SCHEMBL17537722 0.98 MAOA (0.52) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537990 0.98 MAOA (0.52) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537992 0.98 MAOA (0.52) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537736 0.96 MAOA (0.54) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537725 0.94 MAOA (0.48) MAOAMPOSLC6A4HRH1
SCHEMBL17537720 0.93 CHEK1 (0.47) MAOAMPOSLC6A4CHEK1TLR8
SCHEMBL17537737 0.92 MAOA (0.47) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537731 0.91 MAOA (0.50) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537724 0.89 MAOA (0.48) MAOAMPOSLC6A4HRH1CHEK1
SCHEMBL17537740 0.89 TAAR1 (0.47) MAOAMPOSLC6A4CHEK1

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
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
WO-2016022943-A2 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2016-02-11 WO 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-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS MAOA 3608/4885MPO 1014/4885SLC6A4 4851/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS MAOA 3608/4885MPO 1014/4885SLC6A4 4851/4885

“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.