SCHEMBL6306362

SCHEMBL6306362

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
NR1H2 P55055 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR1H3 Q13133 2/20 0.39
PDE8B O95263 1/20 0.39
OPRD1 P41143 1/20 0.39
UCHL1 P09936 1/20 0.39
CHEK2 O96017 1/20 0.39
TSHR P16473 1/20 0.38
NQO2 P16083 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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 1.00 ALOX5AP (0.42) ALOX5APFEN1NR1H2CHRNB2CHRNA4
SCHEMBL6305913 0.84 FPR3 (0.41) ALOX5APFEN1NR1H2ALDH1A1NR1H3
SCHEMBL6309792 0.82 NR1H2 (0.42) ALOX5APFEN1NR1H2NR1H3OPRD1
SCHEMBL7853484 0.81 HTR1B (0.50)
SCHEMBL7853486 0.81 HTR1B (0.50)
SCHEMBL6307951 0.80 ANO1 (0.43) ALDH1A1NQO2
SCHEMBL1843455 0.77 OPRD1 (0.46) ALDH1A1OPRD1UCHL1TSHRNPSR1
SCHEMBL31392628 0.77 NR1H2 (0.45) NR1H2NR1H3OPRD1UCHL1CHEK2
SCHEMBL14558796 0.76 UCHL1 (0.51) NR1H2ALDH1A1NR1H3OPRD1UCHL1
SCHEMBL17980057 0.76 HSD11B1 (0.41) ALOX5APFEN1ALDH1A1OPRD1UCHL1

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 ALOX5AP 1875/4885FEN1 4678/4885NR1H2 192/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 ALOX5AP 1795/4885FEN1 4412/4885NR1H2 153/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 ALOX5AP 2306/4885FEN1 4244/4885NR1H2 132/4885

“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.