SCHEMBL13902880

SCHEMBL13902880

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 4/20 0.36
TACR1 P25103 1/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
SNCA P37840 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34
KMT2A Q03164 1/20 0.34
GHSR Q92847 1/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 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
SCHEMBL13902881 0.96 MEN1 (0.37) ECE1TACR1USP2MAPK1SNCA
SCHEMBL13960314 0.91 ECE1 (0.39) ECE1USP2MAPK1SNCAALDH1A1
SCHEMBL13902875 0.91 ECE1 (0.39) ECE1USP2MAPK1SNCAALDH1A1
SCHEMBL13902879 0.90 HTR1A (0.37) ECE1TACR1USP2MAPK1SNCA
SCHEMBL13902870 0.90 ECE1 (0.40) ECE1TACR1USP2MAPK1SNCA
SCHEMBL13902864 0.90 ECE1 (0.40) ECE1TACR1USP2MAPK1SNCA
SCHEMBL3945780 0.90 ECE1 (0.37) ECE1USP2MAPK1SNCAALDH1A1
SCHEMBL13902878 0.90 USP2 (0.38) ECE1TACR1USP2MAPK1SNCA
SCHEMBL13902872 0.89 ECE1 (0.38) ECE1USP2MAPK1SNCAALDH1A1
SCHEMBL3939933 0.89 SNCA (0.38) ECE1TACR1USP2MAPK1SNCA

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 ECE1 1561/4885TACR1 220/4885USP2 2589/4885

“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.