SCHEMBL6308917

SCHEMBL6308917

CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(N)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
MTNR1B P49286 1/20 0.49
NR1H2 P55055 1/20 0.49
HTR1A P08908 3/20 0.48
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
ACHE P22303 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
MAP4K4 O95819 1/20 0.45
KIT P10721 1/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5372246 0.87 HTR5A (0.55) BACE1SMARCA2SMARCA4PBRM1MTNR1B
SCHEMBL31185603 0.87 HTR5A (0.55) BACE1SMARCA2SMARCA4PBRM1MTNR1B
SCHEMBL5375431 0.86 BACE1 (0.51) BACE1SMARCA2SMARCA4PBRM1MTNR1B
SCHEMBL5373904 0.86 BACE1 (0.51) BACE1SMARCA2SMARCA4PBRM1MTNR1B
SCHEMBL4558301 0.85 BACE1 (0.59) BACE1SMARCA2SMARCA4PBRM1HTR1A
SCHEMBL5379402 0.85 BACE1 (0.50) BACE1SMARCA2SMARCA4PBRM1MTNR1B
SCHEMBL5363589 0.85 MTNR1B (0.69) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL4728868 0.84 MAPT (0.52) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL30198151 0.82 GPR119 (0.60) SMARCA2SMARCA4PBRM1NR1H2GPR119
SCHEMBL265132 0.82 GPR119 (0.60) SMARCA2SMARCA4PBRM1NR1H2GPR119

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 BACE1 2204/4885SMARCA2 2641/4885SMARCA4 2360/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 BACE1 1604/4885SMARCA2 1914/4885SMARCA4 1091/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 BACE1 2166/4885SMARCA2 1751/4885SMARCA4 1341/4885

“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.