SCHEMBL4103194

SCHEMBL4103194

COc1ccc(CN2CCCCN2c2ccc(C#N)c3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.49
SIGMAR1 Q99720 1/20 0.41
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
FABP4 P15090 1/20 0.39

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
SCHEMBL4107166 0.99 AR (0.48) ARSIGMAR1IMPDH2IMPDH1CASP1
SCHEMBL4112034 0.98 AR (0.46) ARSIGMAR1IMPDH2IMPDH1GAA
SCHEMBL4102343 0.90 AR (0.48) ARIMPDH2IMPDH1
SCHEMBL4097841 0.89 AR (0.47) ARMAPT
SCHEMBL4097830 0.89 AR (0.49) AR
SCHEMBL4100025 0.88 AR (0.46) ARSIGMAR1CASP1FABP4
SCHEMBL4098106 0.87 AR (0.52) AR
SCHEMBL4099305 0.87 AR (0.52) AR
SCHEMBL4109107 0.87 AR (0.45) ARSIGMAR1CASP1FABP4
SCHEMBL4108134 0.87 TSHR (0.46) 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 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 38/4885SIGMAR1 587/4885IMPDH2 2333/4885

“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.