SCHEMBL13902879

SCHEMBL13902879

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
ECE1 P42892 2/20 0.36
SNCA P37840 4/20 0.35
TACR1 P25103 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GHSR Q92847 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 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
SCHEMBL13902878 0.94 USP2 (0.38) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902880 0.90 ECE1 (0.36) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902875 0.90 ECE1 (0.39) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13960314 0.90 ECE1 (0.39) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902881 0.89 MEN1 (0.37) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902870 0.89 ECE1 (0.40) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902864 0.89 ECE1 (0.40) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902872 0.88 ECE1 (0.38) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13960316 0.88 ECE1 (0.39) HTR1ASLC6A4USP2MAPK1ECE1
SCHEMBL13902874 0.88 ECE1 (0.37) HTR1ASLC6A4USP2MAPK1ECE1

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 HTR1A 10/4885SLC6A4 519/4885USP2 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.