SCHEMBL13902848

SCHEMBL13902848

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.39
HTR1A P08908 4/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 3/20 0.37
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
CCKBR P32239 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NOTUM Q6P988 1/20 0.35
MPO P05164 3/20 0.35
SPR P35270 1/20 0.35
NR3C1 P04150 1/20 0.34
TSHR P16473 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HDAC3 O15379 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
SCHEMBL3943920 1.00 ADAM17 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL13902839 0.92 HTR1A (0.40) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3934212 0.92 HTR1A (0.40) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3937227 0.91 ADAM17 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL13902842 0.91 ADAM17 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3943985 0.90 ADAM17 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL13902844 0.90 SLC6A4 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3941230 0.90 SLC6A4 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL13902841 0.90 ADAM17 (0.39) ADAM17HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3937265 0.89 ADAM17 (0.36) ADAM17HTR1AHTR2AHTR2CSLC6A4

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 ADAM17 2814/4885HTR1A 10/4885HTR2A 15/4885

“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.