SCHEMBL4035244

SCHEMBL4035244

CCCOc1ccc(I)cc1C(=O)NC(O)C(C)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
HTR1A P08908 3/20 0.37
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NOTUM Q6P988 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
SPR P35270 1/20 0.35
MPO P05164 3/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
LCLAT1 Q6UWP7 1/20 0.34

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
SCHEMBL5149347 0.89 KDM4E (0.38) ALDH1A1
SCHEMBL5149356 0.89 KDM4E (0.38) ALDH1A1
SCHEMBL4029367 0.85 SCN8A (0.38) SCN8ASCN10AHTR1ASLC6A4NOTUM
SCHEMBL4035537 0.85 SCN8A (0.37) SCN8ASCN10AHTR1ASLC6A4HTR2A
SCHEMBL4031716 0.84 SCN8A (0.36) SCN8ASCN10AHTR1ASLC6A4HTR2A
SCHEMBL3935484 0.81 HTR2A (0.41) SCN8ASCN10AHTR1ASLC6A4HTR2A
SCHEMBL4034238 0.81 SCN8A (0.34) SCN8ASCN10AHTR1ASLC6A4HTR2A
SCHEMBL4033961 0.81 MPO (0.41) SCN8ASCN10AHTR1ASLC6A4SPR
SCHEMBL4029370 0.77 HTR1A (0.42) SCN8ASCN10AHTR1ASLC6A4HTR2A
SCHEMBL4032356 0.75 KMT2A (0.47) ITGB2ICAM1ITGAL

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
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R SCN8A 2777/4885SCN10A 2191/4885HTR1A 8/4885

“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.