SCHEMBL6309792

SCHEMBL6309792

CC(C)(C)OC(=O)N1CCC[C@@H]1Cc1cccc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
KLK7 P49862 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PRMT5 O14744 1/20 0.37
OPRD1 P41143 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
USP30 Q70CQ3 1/20 0.37
AHCY P23526 2/20 0.36
DPP4 P27487 1/20 0.36
APP P05067 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 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
SCHEMBL6308238 0.82 ALOX5AP (0.42) NR1H2NR1H3MAPTNPSR1OPRD1
SCHEMBL6306362 0.82 ALOX5AP (0.42) NR1H2NR1H3MAPTNPSR1OPRD1
SCHEMBL7568497 0.79 JAK2 (0.39) NR1H2NR1H3JAK2JAK1MEN1
SCHEMBL6305913 0.78 FPR3 (0.41) NR1H2NR1H3NPSR1OPRD1MEN1
SCHEMBL27854990 0.77 NR1H2 (0.54) NR1H2NR1H3KLK7OPRD1MEN1
SCHEMBL698422 0.77 NR1H2 (0.54) NR1H2NR1H3KLK7OPRD1MEN1
SCHEMBL698218 0.77 NR1H2 (0.54) NR1H2NR1H3KLK7OPRD1MEN1
SCHEMBL31392628 0.75 NR1H2 (0.45) NR1H2NR1H3KLK7NPSR1PRMT5
SCHEMBL6307951 0.74 ANO1 (0.43) MEN1KMT2AAPPHTR1AADRA2A
SCHEMBL1843455 0.74 OPRD1 (0.46) KLK7NPSR1OPRD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080090-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2005-04-14 US disclosed
US-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 US disclosed
US-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives CHENARD BERTRAND L (US) 2001-06-21 US disclosed
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP disclosed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP disclosed
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US disclosed
EP-0701819-A2 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1996-03-20 EP disclosed
EP-0689536-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-03 EP disclosed
WO-1994021619-A1 NAPHTHALENE DERIVATIVES PFIZER INC. (US) 1994-09-29 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 (3 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-20010004669-A1 Pyrazinyl-substituted naphthalene derivatives HTR4, HCRTR2, CNR2 NR1H2 192/4885NR1H3 223/4885KLK7 4057/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 NR1H2 153/4885NR1H3 140/4885KLK7 4323/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 NR1H2 132/4885NR1H3 128/4885KLK7 4153/4885

“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.