SCHEMBL4182485

SCHEMBL4182485

Cc1c(CCCN(C)Cc2ccc(OCCN3CCOCC3)cc2)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
NPC1 O15118 1/20 0.37
AR P10275 1/20 0.36
BRAF P15056 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LTA4H P09960 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
FAAH O00519 1/20 0.34
MAOA P21397 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDK1 Q15118 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
SCHEMBL14625291 0.93 BCHE (0.37) BCHEACHECNR1CNR2NPC1
SCHEMBL4180660 0.88 AR (0.40) CNR1NPC1ARKDM4EALDH1A1
SCHEMBL4183123 0.83 BCHE (0.44) BCHEACHECNR1CNR2NPC1
SCHEMBL4180397 0.79 ACHE (0.40) BCHEACHECNR1CNR2BRAF
SCHEMBL4184352 0.77 AR (0.43) ARDRD2HRH1DRD3
SCHEMBL4183868 0.76 AR (0.41) BCHEACHECNR1CNR2AR
SCHEMBL4187157 0.73 BCHE (0.42) BCHEACHECNR1CNR2NPC1
SCHEMBL4147054 0.73 AR (0.52) AR
SCHEMBL4170726 0.71 AR (0.42) ARDRD2HRH1DRD3
SCHEMBL4171817 0.71 AR (0.47) AR

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 4 patents. 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 claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
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.