SCHEMBL2849945

SCHEMBL2849945

NC(=O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
CNR1 P21554 1/20 0.49
IDO1 P14902 5/20 0.49
HTT P42858 2/20 0.49
GGPS1 O95749 1/20 0.49
EPHX1 P07099 1/20 0.48
COPS5 Q92905 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL31346720 1.00 PDPK1 (0.54) PDPK1CNR1IDO1HTTGGPS1
SCHEMBL10900027 0.89 ACLY (0.56) PDPK1CNR1PLAAT3PLAAT5PLAAT2
SCHEMBL7330078 0.85 PDPK1 (0.56) PDPK1CNR1IDO1GGPS1HPGD
SCHEMBL28179666 0.84 HSD17B10 (0.42) PDPK1
SCHEMBL2489075 0.83 PDPK1 (0.55) PDPK1CNR1IDO1GGPS1HPGD
SCHEMBL30567601 0.83 PDPK1 (0.59) PDPK1CNR1HPGDALDH1A1PLAAT3
SCHEMBL586345 0.83 PDPK1 (0.59) PDPK1CNR1HPGDALDH1A1PLAAT3
SCHEMBL2831742 0.82 MPO (0.54) HPGDALDH1A1POLBCYP1A2CYP3A4
SCHEMBL28812133 0.82 MEN1 (0.45) EPHX1ALDH1A1POLB
SCHEMBL29858435 0.81 IDO1 (0.52) PDPK1CNR1IDO1HTTGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
EP-2444120-B1 Spirocyclic amiloride analogues as ENac blockers NOVARTIS AG (CH) 2017-09-27 EP disclosed
US-9643983-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2017-05-09 US disclosed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US disclosed
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2016-03-10 US disclosed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP disclosed
US-9139586-B2 Treating diseases mediated by blockade of the epithelial sodium channel with pyrazine-2-carboxamide derivatives NOVARTIS AG (CH) 2015-09-22 US disclosed
WO-1997049690-A1 A METHOD FOR TREATING MENIERE'S DISEASE MERCK & CO., INC. (US) 1997-12-31 WO disclosed
EP-0731803-A4 NOVEL FURANODIAZEPINES MERCK & CO INC (US) 1997-06-18 EP disclosed
CN-1142184-A Antiarrhythmic benzodiazepines * MERCK & CO INC (US) 1997-02-05 CN disclosed
EP-0731803-A1 NOVEL FURANODIAZEPINES MERCK & CO. INC. (US) 1996-09-18 EP disclosed
US-5453424-A Furanodiazepines MERCK & CO., INC. (US) 1995-09-26 US disclosed
WO-1995014695-A1 NOVEL FURANODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 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-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 PDPK1 2198/4885CNR1 23/4885IDO1 1408/4885
US-20160068546-A1 TREATING DISEASES MEDIATED BY BLOCKADE OF THE EPITHELIAL SODIUM CHANNEL WITH PYRAZINE-2-CARBOXAMIDE DERIVATIVES SCNN1B, SCNN1A, SCNN1G PDPK1 4279/4885CNR1 304/4885IDO1 4616/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 PDPK1 2290/4885CNR1 4339/4885IDO1 1293/4885

“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.