SCHEMBL4457062

SCHEMBL4457062

CCCc1ccc(C#Cc2ccc(CN(C(=O)CCC3CCCC3)c3ccc4c(c3)OC(C)(C)OC4=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LTB4R2 Q9NPC1 6/20 0.33
HTR5A P47898 3/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
ACACB O00763 1/20 0.33
F2 P00734 5/20 0.32
F10 P00742 5/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL2855107 0.96 PTPN11 (0.36) SLC6A4ALDH1A1LTB4R2HTR5AHTR1A
SCHEMBL2861742 0.94 SLC6A4 (0.37) SLC6A4ALDH1A1LTB4R2HTR5AHTR1A
SCHEMBL13711758 0.93 SLC6A4 (0.41) SLC6A4ALDH1A1LTB4R2HTR5AHTR1A
SCHEMBL2854916 0.92 CNR2 (0.36) SLC6A4ALDH1A1LTB4R2HTR5AF2
SCHEMBL2853035 0.92 GAA (0.37) LTB4R2HTR5AACACBF2F10
SCHEMBL2857283 0.91 PTGES (0.39) SLC6A4ALDH1A1HTR5AACACBF2
SCHEMBL2853674 0.91 LTB4R2 (0.37) ALDH1A1LTB4R2F2F10PTGDR2
SCHEMBL2858908 0.90 PTPN11 (0.36) SLC6A4ALDH1A1LTB4R2HTR5AHTR1A
SCHEMBL2861740 0.90 SLC6A4 (0.34) SLC6A4ALDH1A1LTB4R2HTR5AHTR1A
SCHEMBL13711662 0.89 SLC6A4 (0.41) SLC6A4LTB4R2HTR5AHTR1ADRD2

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-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS SLC6A4 3541/4885ALDH1A1 1454/4885LTB4R2 827/4885

“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.