Sugi Predict

Sugi Predict / Compounds / SCHEMBL4170726

SCHEMBL4170726

SCHEMBL4170726

Cc1c(CCCN2CCC(CCCC3CCN(CCO)CC3)CC2)c2c3c(Cl)cc(=O)[nH]c3ccc2n1CC(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.42
▸ CTSS P25774 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ DRD2 P14416 6/20 0.33
▸ DRD3 P35462 5/20 0.33
▸ DRD4 P21917 4/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ HTR2A P28223 2/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ ADRA1A P35348 2/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLC22A2 O15244 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
SCHEMBL4184352 0.86 AR (0.43) ARDRD2DRD3DRD4OPRM1
SCHEMBL4180698 0.83 AR (0.46) ARDRD2DRD3DRD4OPRM1
SCHEMBL4148065 0.80 AR (0.53) AR
SCHEMBL4147054 0.79 AR (0.52) AR
SCHEMBL4171817 0.77 AR (0.47) AR
SCHEMBL4181557 0.74 AR (0.45) AR
SCHEMBL4148090 0.74 AR (0.64) ARLMNA
SCHEMBL4140389 0.71 AR (0.67) ARTSHR
SCHEMBL4183645 0.71 AR (0.46) AR
SCHEMBL4182485 0.71 BCHE (0.39) ARDRD2DRD3HRH1

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 5 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
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 — — WO 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 1/4885CTSS 3831/4885TLR9 3973/4885

“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.