SCHEMBL3939933

SCHEMBL3939933

COC(=O)CCCC#Cc1cc2c(c(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c1)OCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.38
GHSR Q92847 1/20 0.37
ECE1 P42892 1/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
HCRTR1 O43613 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL3945780 0.92 ECE1 (0.37) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13902881 0.92 MEN1 (0.37) SNCAECE1TACR1MEN1HCRTR1
SCHEMBL13902872 0.91 ECE1 (0.38) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13962345 0.90 ECE1 (0.39) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13960316 0.90 ECE1 (0.39) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13902874 0.90 ECE1 (0.37) SNCAECE1TACR1HTR1ASLC6A4
SCHEMBL13960314 0.90 ECE1 (0.39) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13902875 0.90 ECE1 (0.39) SNCAECE1HTR1ASLC6A4ITGB2
SCHEMBL13902880 0.89 ECE1 (0.36) SNCAGHSRECE1TACR1MEN1
SCHEMBL13902870 0.89 ECE1 (0.40) SNCAECE1TACR1HTR1ASLC6A4

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-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US claimed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP claimed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
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-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 SNCA 1404/4885GHSR 82/4885ECE1 1561/4885

“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.