SCHEMBL6312828

SCHEMBL6312828

CC(C)(C)OC(=O)N1CCN(c2cccc3ccc(Nc4ncccc4N)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
BACE1 P56817 2/20 0.43
PTPN11 Q06124 1/20 0.43
KIT P10721 2/20 0.43
POLB P06746 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL8926963 0.88 PTPN11 (0.42) ACHESMARCA2SMARCA4PBRM1BACE1
SCHEMBL6308250 0.83 HTR1A (0.49) HTR1AHTR1DHTR1BCDK2JAK2
SCHEMBL6308917 0.80 BACE1 (0.51) ACHESMARCA2SMARCA4PBRM1BACE1
SCHEMBL8077724 0.80 L3MBTL1 (0.39) HTR1AHTR1DHTR1B
SCHEMBL6313334 0.79 BACE1 (0.52) ACHEBACE1PTPN11GPR119HTR1A
SCHEMBL13600192 0.77 POLB (0.47) POLBGPR119CCNKDTYMK
SCHEMBL31185603 0.75 HTR5A (0.55) ACHESMARCA2SMARCA4PBRM1BACE1
SCHEMBL5372246 0.75 HTR5A (0.55) ACHESMARCA2SMARCA4PBRM1BACE1
SCHEMBL13607278 0.75 GPR119 (0.51) GPR119
SCHEMBL25403430 0.74 POLB (0.51) ACHESMARCA2SMARCA4PBRM1BACE1

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 ACHE 1260/4885SMARCA2 2641/4885SMARCA4 2360/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 ACHE 1161/4885SMARCA2 1914/4885SMARCA4 1091/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 ACHE 1415/4885SMARCA2 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.