SCHEMBL13902845

SCHEMBL13902845

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.43
ADAM17 P78536 1/20 0.37
HTR1A P08908 3/20 0.37
SLC6A4 P31645 2/20 0.36
HTR2A P28223 2/20 0.35
LTB4R Q15722 1/20 0.35
SPR P35270 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CCKBR P32239 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
NTRK1 P04629 2/20 0.34
HTR2C P28335 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NOTUM Q6P988 1/20 0.34
NR3C1 P04150 1/20 0.33
MEN1 O00255 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
SCHEMBL3938249 1.00 MPO (0.43) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL3934460 0.96 MPO (0.46) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL13902849 0.96 MPO (0.46) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL3937227 0.92 ADAM17 (0.39) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL13902842 0.92 ADAM17 (0.39) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL3941230 0.91 SLC6A4 (0.39) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL13902844 0.91 SLC6A4 (0.39) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL13902839 0.90 HTR1A (0.40) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL3934212 0.90 HTR1A (0.40) MPOADAM17HTR1ASLC6A4HTR2A
SCHEMBL3935347 0.90 CCKBR (0.36) MPOADAM17HTR1ASLC6A4HTR2A

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 1 patent. 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

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 4429/4885ADAM17 2814/4885HTR1A 10/4885

“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.