SCHEMBL4187157

SCHEMBL4187157

CN(CCCCCCCCCN1c2ccc3[nH]c(=O)cc(Cl)c3c2CC1(C)C)Cc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.42
ACHE P22303 8/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL4183123 0.81 BCHE (0.44) BCHEACHECNR1CNR2FAAH
SCHEMBL4180397 0.73 ACHE (0.40) BCHEACHECNR1CNR2FAAH
SCHEMBL4183868 0.71 AR (0.41) BCHEACHECNR1CNR2FAAH
SCHEMBL14625291 0.71 BCHE (0.37) BCHEACHECNR1CNR2FAAH
SCHEMBL3240100 0.63 BCHE (0.60) BCHEACHENPC1KDM4EALDH1A1
SCHEMBL11882474 0.61 LTA4H (0.71) BCHEACHENPC1KDM4EALDH1A1
SCHEMBL19135749 0.61 BCHE (0.59) BCHEACHENPC1ALDH1A1HRH3
SCHEMBL30193620 0.61 DRD2 (0.63) ACHEKDM4EALDH1A1DRD2DRD1
SCHEMBL21676466 0.59 PARP1 (0.62) NPC1KDM4EALDH1A1DRD2DRD1
SCHEMBL11882468 0.58 LTA4H (0.70) BCHEACHENPC1DRD1DRD5

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA BCHE 4103/4885ACHE 4523/4885CNR1 166/4885

“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.