SCHEMBL9969466

SCHEMBL9969466

CC(C)(C)Cc1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 3/20 0.50
ALOX15 P16050 3/20 0.50
NPC1 O15118 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALOX12 P18054 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11923149 0.85 ALDH1A1 (0.48) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL28310382 0.84 RAB9A (0.47) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL13007692 0.83 ALDH1A1 (0.52) MAPTALDH1A1KDM4ERAB9AHTT
SCHEMBL28331713 0.83 RAB9A (0.49) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL28331738 0.83 RAB9A (0.46) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL10190881 0.82 AGXT (0.60) MAPTALDH1A1RAB9AMAPK1HTT
SCHEMBL28137607 0.82 RAB9A (0.44) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL8352110 0.81 ALDH1A1 (0.58) MAPTALDH1A1KDM4ERAB9ANPC1
SCHEMBL12776084 0.81 HRH3 (0.67) MAPTALDH1A1HTTKMT2ALMNA
SCHEMBL21933940 0.80 ESR1 (0.42) MAPTALDH1A1KDM4EMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885KDM4E 3457/4885
US-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPT 2195/4885ALDH1A1 1535/4885KDM4E 3171/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885KDM4E 3457/4885
US-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 MAPT 1843/4885ALDH1A1 3486/4885KDM4E 1498/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MAPT 2195/4885ALDH1A1 1535/4885KDM4E 3171/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MAPT 2195/4885ALDH1A1 1535/4885KDM4E 3171/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAPT 4336/4885ALDH1A1 3986/4885KDM4E 4582/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAPT 4552/4885ALDH1A1 2970/4885KDM4E 3457/4885

“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.