SCHEMBL6313334

SCHEMBL6313334

CC(C)(C)OC(=O)Nc1ccc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.52
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1B P49286 1/20 0.46
ACHE P22303 1/20 0.46
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
PARP14 Q460N5 1/20 0.45
PTPN11 Q06124 1/20 0.43
MAPT P10636 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5379402 0.83 BACE1 (0.50) BACE1MEN1KMT2AMTNR1BACHE
SCHEMBL5372246 0.83 HTR5A (0.55) BACE1MTNR1BACHEHTR1AHTR1D
SCHEMBL31185603 0.83 HTR5A (0.55) BACE1MTNR1BACHEHTR1AHTR1D
SCHEMBL4728868 0.82 MAPT (0.52) BACE1MTNR1BACHEHTR1AHTR1D
SCHEMBL5373904 0.82 BACE1 (0.51) BACE1MTNR1BACHEHTR1AHTR1D
SCHEMBL6308917 0.82 BACE1 (0.51) BACE1MTNR1BACHEHTR1AHTR1D
SCHEMBL5375431 0.82 BACE1 (0.51) BACE1MEN1KMT2AMTNR1BACHE
SCHEMBL4558301 0.81 BACE1 (0.59) BACE1NAMPTACHEHTR1AHTR1D
SCHEMBL5363589 0.81 MTNR1B (0.69) BACE1MTNR1BHTR1AHTR1DHTR1B
SCHEMBL7846281 0.80 F13A1 (0.53) NAMPTMEN1KMT2AMAPTPTPN2

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 4 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
US-5597826-A Compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER INC. (US) 1997-01-28 US 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 2204/4885NAMPT 2556/4885MEN1 2395/4885
US-20050080090-A1 Naphthalene derivatives HTR4, NPY4R, HCRTR1 BACE1 1604/4885NAMPT 3290/4885MEN1 1146/4885
US-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 BACE1 2166/4885NAMPT 3892/4885MEN1 1856/4885

“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.