Sugi Predict

Sugi Predict / Compounds / SCHEMBL4606839

SCHEMBL4606839

SCHEMBL4606839

NC(=O)C1CCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.50
▸ KCNQ2 O43526 2/20 0.50
▸ SLC6A2 P23975 3/20 0.48
▸ SLC6A4 P31645 3/20 0.48
▸ SLC9A1 P19634 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KDM1A O60341 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ CYP2C19 P33261 2/20 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
SCHEMBL3323648 0.96 KCNQ3 (0.54) KCNQ3KCNQ2SLC6A2SLC6A4SLC9A1
SCHEMBL4606553 0.90 SLC6A2 (0.61) KCNQ3KCNQ2SLC6A2SLC6A4SLC9A1
SCHEMBL25355746 0.89 SLC9A1 (0.54) SLC6A2SLC9A1ALDH1A1HPGDHRH3
SCHEMBL839092 0.85 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL12592455 0.85 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL7352068 0.85 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL4522521 0.85 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL7352063 0.85 KCNQ3 (0.53) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1
SCHEMBL4608244 0.84 SIRT2 (0.40) KCNQ3KCNQ2SLC6A2SLC6A4SLC9A1
SCHEMBL4606990 0.82 ALDH1A1 (0.49) KCNQ3KCNQ2SLC6A2SLC6A4ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 — — EP claimed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 — — US claimed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 — — EP claimed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 — — WO claimed
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-03-02 — — US disclosed
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2016-07-21 — — US disclosed
EP-2825538-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2016-06-01 — — EP disclosed
US-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2016-01-28 — — US disclosed
US-20150164899-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN LANTHORN THOMAS HERBERT (US) 2015-06-18 — — US disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 — — US disclosed
EP-2825538-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Bristol-Myers Squibb Company (US) 2015-01-21 — — EP disclosed
US-8765767-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-07-01 — — US disclosed
WO-2013138687-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-19 — — WO disclosed
EP-1246797-B1 CYCLOPENTYL SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2008-07-23 — — EP disclosed
US-6639107-B1 Potentiating glutamate receptor function ELI LILLY AND COMPANY 2003-10-28 — — US disclosed
EP-1246797-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-10-09 — — EP disclosed
WO-2001042203-A1 CYCLOPENTYL SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-06-14 — — WO disclosed
EP-0818463-B1 Aspartyl dipeptide amide derivatives and sweeteners AJINOMOTO KK (JP) 1999-09-29 — — EP disclosed
US-5958496-A LOW CALORIE SWEETENING FOR FOOD, BEVERAGES; TASTE, STABILITY AJINOMOTO CO., INC. (JP) 1999-09-28 — — US disclosed
EP-0818463-A1 Aspartyl dipeptide amide derivatives and sweeteners Ajinomoto Co., Ltd. (JP) 1998-01-14 — — EP 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 (4 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-20160024093-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KCNQ3 3794/4885KCNQ2 3300/4885SLC6A2 4644/4885
US-20170057964-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 KCNQ3 3794/4885KCNQ2 3300/4885SLC6A2 4644/4885
US-20160206619-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KCNQ3 2922/4885KCNQ2 2950/4885SLC6A2 3966/4885
US-20150164899-A1 INHIBITION OF ADAPTOR ASSOCIATED KINASE 1 FOR THE TREATMENT OF PAIN AAK1, NCK1, DAPK1 KCNQ3 2922/4885KCNQ2 2950/4885SLC6A2 3966/4885

“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.