SCHEMBL3935484

SCHEMBL3935484

CCCOc1ccc(I)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR1A P08908 3/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 2/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MPO P05164 6/20 0.39
CCKBR P32239 1/20 0.39
TSHR P16473 1/20 0.39
SPR P35270 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL13912861 0.90 HTR2A (0.41) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL4599804 0.89 CCKBR (0.44) ITGB2ICAM1ITGALCCKBR
SCHEMBL5172047 0.89 CCKBR (0.44) ITGB2ICAM1ITGALCCKBR
SCHEMBL14557691 0.88 HTR2A (0.40) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL13912838 0.87 HTR2A (0.41) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL14557690 0.87 ITGB2 (0.42) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL5151585 0.87 HDAC3 (0.44) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL14610637 0.87 ICMT (0.41) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL4601648 0.87 HDAC3 (0.44) HTR2AHTR1AHTR2CSLC6A4ITGB2
SCHEMBL14557751 0.87 PPARG (0.41) HTR2AHTR1AHTR2CSLC6A4ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R HTR2A 11/4885HTR1A 8/4885HTR2C 35/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 HTR2A 15/4885HTR1A 10/4885HTR2C 23/4885

“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.