SCHEMBL13902849

SCHEMBL13902849

CCCOc1ccc(C#CCCCC(=O)NC)cc1C(=O)NC(CO)Cc1c[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPO P05164 5/20 0.46
HTR1A P08908 3/20 0.37
SLC6A4 P31645 3/20 0.37
ADAM17 P78536 1/20 0.36
CCKBR P32239 1/20 0.35
LTB4R Q15722 1/20 0.34
HTR2A P28223 2/20 0.34
SPR P35270 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
NTRK1 P04629 2/20 0.34
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
HTR2C P28335 1/20 0.33
PPARG P37231 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3934460 1.00 MPO (0.46) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL13902845 0.96 MPO (0.43) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL3938249 0.96 MPO (0.43) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL3941230 0.92 SLC6A4 (0.39) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL13902844 0.92 SLC6A4 (0.39) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL3937035 0.91 MPO (0.41) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL13902843 0.91 MPO (0.41) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL13902842 0.91 ADAM17 (0.39) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL3937227 0.91 ADAM17 (0.39) MPOHTR1ASLC6A4ADAM17CCKBR
SCHEMBL3934212 0.89 HTR1A (0.40) MPOHTR1ASLC6A4ADAM17CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 MPO 4429/4885HTR1A 10/4885SLC6A4 519/4885

“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.