SCHEMBL2245806

SCHEMBL2245806

CCOC(=O)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAOA P21397 1/20 0.58
HTT P42858 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HSP90AA1 P07900 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL2250288 0.93 RAB9A (0.57) RAB9ACA12CA1CA2CA7
SCHEMBL11900945 0.93 POLB (0.58) RAB9ACA12CA1CA2CA7
SCHEMBL11901124 0.83 CA12 (0.53) RAB9ACA12CA1CA2CA7
SCHEMBL3936871 0.83 RAB9A (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL87450 0.82 CA1 (0.83) RAB9ACA12CA1CA2CA7
SCHEMBL11901153 0.82 CA12 (0.51) RAB9ACA12CA1CA2CA7
SCHEMBL11769771 0.81 CA1 (0.73) RAB9ACA12CA1CA2CA7
Cyclohexane SCHEMBL2917907 0.81 CA1 (0.73) RAB9ACA12CA1CA2CA7
SCHEMBL7746905 0.80 CA1 (0.79) RAB9ACA12CA1CA2CA7
SCHEMBL21440358 0.80 CA1 (0.79) RAB9ACA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2686325-B1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-12-14 EP disclosed
CN-103517910-B Morpholine-spirocyclic piperidine amides as modulators of ion channels 沃泰克斯药物股份有限公司 2016-12-14 CN disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729104-B2 Diphenyl substituted alkanes as flap inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
EP-2686325-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2014-01-22 EP disclosed
CN-103517910-A Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA 2014-01-15 CN disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 WO disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 WO disclosed
EP-1016420-B1 Synergistic detergent and disinfectant combinations for decontaminating biofilm-coated surfaces UNIV MONTREAL (CA) 2003-05-07 EP disclosed
EP-0800408-B1 SYNERGISTIC DETERGENT AND DISINFECTANT COMBINATIONS FOR DECONTAMINATING BIOFILM-COATED SURFACES UNIV MONTREAL (CA) 2001-12-12 EP disclosed
EP-1135337-A2 WATER SANITIZING SYSTEM Hygenitek Inc. (CA) 2001-09-26 EP disclosed
EP-1016420-A1 Synergistic detergent and disinfectant combinations for decontaminating biofilm-coated surfaces UNIVERSITE DE MONTREAL (CA) 2000-07-05 EP disclosed
WO-1999048817-A2 WATER SANITIZING SYSTEM HYGENITEK INC. (CA) 1999-09-30 WO disclosed
US-5942480-A AQUEOUS MIXTURE CONTAINING MANDELIC ACID, LACTIC ACID, SODIUM DODECYL SULFATE, EDTA, HYDROGEN PEROXIDE, CETYLPYRIDINIUM CHLORIDE AND PERACETIC ACID UNIVERSITE DE MONTREAL (CA) 1999-08-24 US disclosed
US-5759970-A CONTAINING HYDROGEN PEROXIDE, EDTA AND SODIUM DODECYL SULFATE; WATER SUPPLY LINES TO DENTAL INSTRUMENTS UNIVERSITE DE MONTREAL (CA) 1998-06-02 US disclosed
US-5731275-A LACTIC AND MANDELIC ACIDS, SODIUM DODECYL SULFATE; DENTAL EQUIPMENT UNIVERSITE DE MONTREAL (CA) 1998-03-24 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 (1 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-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 RAB9A 1540/4885CA12 4475/4885CA1 1996/4885

“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.