SCHEMBL856258

SCHEMBL856258

CCCCOC(=O)N1CCCC1CN

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.40
GBA2 Q9HCG7 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
DPP4 P27487 2/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.35
ACE P12821 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3036913 0.96 LMNA (0.42) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL14144107 0.88 POLB (0.45) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL5250883 0.87 POLB (0.44) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL6207733 0.87 POLB (0.53) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL3982504 0.87 POLB (0.53) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL5250880 0.87 POLB (0.44) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL1982237 0.87 POLB (0.53) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL7563929 0.85 POLB (0.43) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL6336988 0.85 MAPT (0.43) POLBLMNASMN1; SMN2RAB9AGBA2
SCHEMBL3403065 0.83 POLB (0.41) POLBLMNASMN1; SMN2RAB9AGBA2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541373-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2019-09-25 EP disclosed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
EP-2274306-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-01-19 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 WO disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2009114566-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-09-17 WO disclosed
EP-1888589-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
WO-2006127287-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 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 (2 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF POLB 1912/4885LMNA 1993/4885SMN1; SMN2 4397/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA POLB 4257/4885LMNA 2817/4885SMN1; SMN2 3818/4885

“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.