SCHEMBL1521956

SCHEMBL1521956

N#Cc1sccc1-c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.41
PTGS1 P23219 1/20 0.38
ADAM17 P78536 1/20 0.30

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
SCHEMBL9170219 0.74 PTGS1 (0.51) PGRPTGS1ADAM17
SCHEMBL9174108 0.74 PGR (0.41) PGRPTGS1ADAM17
SCHEMBL3195110 0.73 HDAC3 (0.45) PGRPTGS1ADAM17
SCHEMBL15997796 0.72 PGR (0.39) PGRPTGS1ADAM17
SCHEMBL8143238 0.71 MEN1 (0.33) PTGS1
SCHEMBL1521833 0.71 CYP2A6 (0.47)
SCHEMBL1521954 0.71 PGR (0.33) PGR
SCHEMBL30488647 0.69 CYP2A6 (0.58)
SCHEMBL28897791 0.68 ADORA2A (0.45)
SCHEMBL3137553 0.67 ALOX15 (0.48) PGRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906556-B2 Methods of treating amyloidosis using cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US disclosed
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-02-12 US disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
EP-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-7385085-B2 Oxime derivative substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
EP-1802574-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2007-07-04 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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 (9 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD PGR 4514/4885PTGS1 2409/4885ADAM17 605/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PGR 4687/4885PTGS1 3934/4885ADAM17 243/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP PGR 4579/4885PTGS1 1832/4885ADAM17 270/4885
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH PGR 4126/4885PTGS1 3538/4885ADAM17 127/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP PGR 4329/4885PTGS1 3485/4885ADAM17 415/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 PGR 4442/4885PTGS1 3947/4885ADAM17 78/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP PGR 4056/4885PTGS1 4248/4885ADAM17 149/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP PGR 4687/4885PTGS1 3934/4885ADAM17 243/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP PGR 4687/4885PTGS1 3934/4885ADAM17 243/4885

“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.