SCHEMBL4097665

SCHEMBL4097665

COc1cccc(CCN2CCCCN2c2ccc([N+](=O)[O-])c3ccccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
CTSB P07858 1/20 0.46
AR P10275 1/20 0.46
MAPT P10636 2/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR1A P08908 2/20 0.42
SLC6A4 P31645 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL4110101 0.88 CTSB (0.50) CTSBARMAPTSIGMAR1HTR1A
SCHEMBL4105465 0.87 CTSB (0.49) HRH3CTSBARMAPTSIGMAR1
SCHEMBL4109023 0.86 CTSB (0.56) HRH3CTSBARMAPTSIGMAR1
SCHEMBL4099947 0.85 CTSB (0.49) CTSBARMAPTSIGMAR1HTR1A
SCHEMBL4111208 0.83 CTSB (0.46) CTSBARMAPTSIGMAR1L3MBTL1
SCHEMBL4092830 0.82 CTSB (0.47) HRH3CTSBARMAPTL3MBTL1
SCHEMBL4103530 0.81 MAPT (0.57) CTSBARMAPTSIGMAR1L3MBTL1
SCHEMBL4102677 0.80 HRH3 (0.50) HRH3ARSIGMAR1HTR1ASLC6A4
SCHEMBL4097833 0.80 CTSB (0.52) HRH3CTSBARMAPTHTR1A
SCHEMBL4107103 0.80 CTSB (0.52) HRH3CTSBARMAPTHTR1A

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 HRH3 958/4885CTSB 4693/4885AR 38/4885

“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.