SCHEMBL4097197

SCHEMBL4097197

COc1ccc(CCC(=O)N2CCCCN2c2ccc(C#N)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
AR P10275 4/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 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
SCHEMBL4093267 0.90 CASP3 (0.46) RAB9AARCASP3CASP7GAA
SCHEMBL4097239 0.89 AR (0.46) NPC1ARCASP3CASP7FFAR1
SCHEMBL4102653 0.89 AR (0.50) NPC1ARFKBP1A
SCHEMBL4098405 0.88 AR (0.41) ARFFAR1
SCHEMBL4102611 0.87 AR (0.46) NPC1ARCASP3CASP7FFAR1
SCHEMBL4102429 0.87 AR (0.46) NPC1AR
SCHEMBL4099630 0.87 AR (0.47) NPC1ARFKBP1A
SCHEMBL4102974 0.84 AR (0.44) NPC1MAPTAR
SCHEMBL4097451 0.84 AR (0.44) ARCASP3CASP7KMT2AMEN1
SCHEMBL4111812 0.84 AR (0.47) SMN1; SMN2NPC1RAB9AMAPTAR

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 8 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
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 SMN1; SMN2 4723/4885NPC1 1063/4885RAB9A 4357/4885

“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.