SCHEMBL17537720

SCHEMBL17537720

NCCCc1ccc(CCCN)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
MPO P05164 3/20 0.47
SLC6A4 P31645 2/20 0.47
MAOA P21397 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 1/20 0.43
TAAR1 Q96RJ0 6/20 0.41
HTR2A P28223 3/20 0.41
HTR1B P28222 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
CTSK P43235 1/20 0.41
HTR6 P50406 1/20 0.41
CYP2A13 Q16696 1/20 0.41
PMP22 Q01453 1/20 0.39

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
SCHEMBL17537740 0.95 TAAR1 (0.47) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL17537992 0.95 MAOA (0.52) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL17537993 0.93 MAOA (0.50) CHEK1MPOSLC6A4MAOATLR8
SCHEMBL17537730 0.93 CHEK1 (0.44) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL17537736 0.93 MAOA (0.54) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL17537722 0.91 MAOA (0.52) CHEK1MPOSLC6A4MAOATLR8
SCHEMBL17537990 0.91 MAOA (0.52) CHEK1MPOSLC6A4MAOATLR8
SCHEMBL19248496 0.89 CHEK1 (0.45) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL19248499 0.89 TLR8 (0.44) CHEK1MPOSLC6A4MAOACYP1A2
SCHEMBL17537731 0.89 MAOA (0.50) CHEK1MPOSLC6A4MAOACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CHEK1 2769/4885MPO 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.