SCHEMBL1521848

SCHEMBL1521848

Cc1csc(-c2cc[c]cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.36
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC3 O15379 3/20 0.34
CHEK1 O14757 1/20 0.34
BACE1 P56817 1/20 0.34
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 5/20 0.33
TNFRSF1A P19438 2/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
DAO P14920 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GHSR Q92847 1/20 0.31

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
SCHEMBL695227 0.80 SLC6A7 (0.41) SLC6A7HDAC1HDAC2HDAC3CHEK1
SCHEMBL72613 0.78 AR (0.43) SLC6A7GRIN2BGRIN1HSD17B1HSD17B2
SCHEMBL2874184 0.77 SLC6A7 (0.33) SLC6A7HDAC1HDAC2HDAC3CHEK1
SCHEMBL4200384 0.75 CNR1 (0.41) SLC6A7HDAC1HDAC2HDAC3CHEK1
SCHEMBL13183603 0.75 HSD17B1 (0.44) SLC6A7HSD17B1HSD17B2CYP3A4CYP2D6
SCHEMBL28268808 0.75 HSD17B1 (0.55) SLC6A7HDAC1HDAC2HDAC3HSD17B1
SCHEMBL6219607 0.75 HSD17B1 (0.32) HSD17B1HSD17B2CYP3A4
SCHEMBL5615209 0.75 HSD17B1 (0.30) HSD17B1HSD17B2
SCHEMBL9773308 0.74 DAO (0.44) SLC6A7HDAC1HDAC2HDAC3CHEK1
SCHEMBL28147641 0.72 HDAC1 (0.40) SLC6A7HDAC1HDAC2HDAC3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN claimed
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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 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
CN-101193635-A Multicyclic compounds and methods of their use LEXICON GENETICS INC (US) 2008-06-04 CN 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
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2005-10-06 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-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE 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-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
WO-2005058808-A1 N-SUBSTITUTED-N-SULFONYLAMINOCYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 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 (8 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 SLC6A7 676/4885HDAC1 214/4885HDAC2 497/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP SLC6A7 232/4885HDAC1 2603/4885HDAC2 2848/4885
US-20090042961-A1 OXIME DERIVATIVE SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ASPH, DNPEP, APP SLC6A7 685/4885HDAC1 2952/4885HDAC2 3012/4885
US-20050222146-A1 N-substituted-n-sulfonylaminocyclopropane compounds and pharmaceutical use thereof MMP13, MMP11, MMP1 SLC6A7 739/4885HDAC1 210/4885HDAC2 438/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP SLC6A7 544/4885HDAC1 2931/4885HDAC2 3694/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 SLC6A7 764/4885HDAC1 3029/4885HDAC2 3272/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP SLC6A7 232/4885HDAC1 2603/4885HDAC2 2848/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP SLC6A7 232/4885HDAC1 2603/4885HDAC2 2848/4885

“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.