SCHEMBL4184352

SCHEMBL4184352

Cc1c(CCCN2CCN(CCOCCO)CC2)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
BCL2A1 Q16548 1/20 0.34
FPR2 P25090 1/20 0.33
HTR1A P08908 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
DRD2 P14416 2/20 0.32
CDC25B P30305 1/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD4 P21917 1/20 0.32
HRH2 P25021 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL4170726 0.86 AR (0.42) ARHTR1AHTR2AHTR2BDRD2
SCHEMBL4180698 0.85 AR (0.46) ARHTR1AHTR2AHTR2BDRD2
SCHEMBL4148065 0.81 AR (0.53) AR
SCHEMBL4147054 0.80 AR (0.52) AR
SCHEMBL4176501 0.79 AR (0.48) AR
SCHEMBL4171817 0.78 AR (0.47) AR
SCHEMBL4182485 0.77 BCHE (0.39) ARDRD2HRH1DRD3
SCHEMBL4181557 0.76 AR (0.45) AR
SCHEMBL4148090 0.75 AR (0.64) ARTP53
SCHEMBL4140389 0.72 AR (0.67) 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 AR 1/4885BCL2A1 3577/4885FPR2 1400/4885

“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.