SCHEMBL4097443

SCHEMBL4097443

CCOc1cccc(CN2CCCCCN2c2ccc(C#N)c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.44
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2B P41595 1/20 0.38
LMNA P02545 1/20 0.38
NSD2 O96028 2/20 0.37
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CSF1R P07333 1/20 0.36

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
SCHEMBL4105761 0.99 AR (0.44) ARHTR1ADRD2HTR2BLMNA
SCHEMBL4107229 0.97 AR (0.42) ARHTR1ADRD2HTR2BLMNA
SCHEMBL4109107 0.90 AR (0.45) ARALDH1A1
SCHEMBL4100025 0.89 AR (0.46) ARHTR1ADRD2ALDH1A1
SCHEMBL4097841 0.88 AR (0.47) ARLMNA
SCHEMBL4098892 0.87 AR (0.46) ARLMNAFAAHALDH1A1
SCHEMBL4093166 0.87 SIGMAR1 (0.44) ARHTR1ADRD2ALDH1A1
SCHEMBL4106653 0.85 AR (0.43) ARDRD2
SCHEMBL4098186 0.85 AR (0.48) ARNSD2
SCHEMBL4107781 0.83 AR (0.49) ARNSD2FAAHALDH1A1

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 6 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
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
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 AR 38/4885HTR1A 477/4885DRD2 1396/4885

“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.