SCHEMBL4092850

SCHEMBL4092850

O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCCN1c1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.47
AR P10275 2/20 0.47
ENPP2 Q13822 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 1/20 0.39
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ME2 P23368 1/20 0.37
ME1 P48163 1/20 0.37
ME3 Q16798 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4104127 0.90 MEN1 (0.52) CTSBARMEN1KMT2AOPRK1
SCHEMBL4107519 0.89 AR (0.54) CTSBARMEN1KMT2AMAPT
SCHEMBL4096064 0.87 AR (0.50) CTSBARMAPTSMN1; SMN2ALDH1A1
SCHEMBL4107006 0.87 AR (0.50) CTSBARMEN1KMT2AMAPT
SCHEMBL4097895 0.87 CTSB (0.50) CTSBARENPP2MEN1KMT2A
SCHEMBL4110134 0.85 AR (0.50) CTSBARENPP2MEN1KMT2A
SCHEMBL4106675 0.84 CTSB (0.47) CTSBARMEN1KMT2AMAPT
SCHEMBL4106416 0.84 AR (0.47) CTSBARENPP2OPRK1MAPT
SCHEMBL4106007 0.84 AR (0.49) CTSBARMEN1KMT2AMAPT
SCHEMBL4103182 0.83 AR (0.46) CTSBARMEN1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US claimed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP claimed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO claimed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
US-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor SMITHKLINE BEECHMA CORPORATION (US) 2009-04-09 US disclosed
EP-1851204-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SmithKline Beecham Corporation (US) 2007-11-07 EP disclosed
WO-2006091592-A1 NAPHTHALENE DERIVATIVES AS MODULATORS OF THE GLUCOCORTICOID RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 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-20090093464-A1 Naphthalene Derivatives as Modulators of the Glucocorticoid Receptor NR3C1, NR3C2, NR5A1 CTSB 4693/4885AR 38/4885ENPP2 782/4885

“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.