SCHEMBL61813

SCHEMBL61813

COC(=O)c1ccc2c(c1)c1c(n2C)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.50
HDAC6 Q9UBN7 3/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC10 Q969S8 2/20 0.47
KRAS P01116 2/20 0.45
CFTR P13569 1/20 0.44
CNR1 P21554 3/20 0.44
NR1H2 P55055 2/20 0.43
KCNH2 Q12809 2/20 0.43
ESR2 Q92731 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL21162489 0.85 CFTR (0.59) BAZ2BHDAC6HDAC1KRASCFTR
SCHEMBL30095940 0.85 BAZ2B (0.54) BAZ2BHDAC6HDAC1HDAC10KRAS
SCHEMBL14259969 0.84 CNR1 (0.49) HDAC6HDAC1KRASCNR1KCNH2
SCHEMBL5108079 0.84 BAZ2B (0.53) BAZ2BHDAC6HDAC1HDAC10KRAS
SCHEMBL3477812 0.84 KRAS (0.57) BAZ2BHDAC6HDAC1HDAC10KRAS
SCHEMBL3312378 0.83 CNR1 (0.66) CNR1KCNH2CNR2
SCHEMBL3310948 0.82 CNR1 (0.49) BAZ2BHDAC6HDAC1HDAC10KRAS
SCHEMBL13328917 0.82 HTR6 (0.53) BAZ2BHDAC6HDAC1CNR1KCNH2
SCHEMBL31117580 0.81 BAZ2B (0.50) BAZ2BHDAC6HDAC1HDAC10KRAS
SCHEMBL21114856 0.81 HDAC6 (0.60) BAZ2BHDAC6HDAC1HDAC10ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231666-B1 Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC (US) 2015-07-29 EP disclosed
US-8895578-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-11-25 US disclosed
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2014-02-13 US disclosed
US-8557822-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8129390-B2 Carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-03-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 US disclosed
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-06-25 US disclosed
WO-2008036022-A1 TETRAHYDRO-LH-PYRIDO[3,4-B] INDOLE DERIVATIVES AS CB1 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
WO-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
WO-2008036021-A1 TETRAHYDRO-LH-PYRIDO [3,4 -B] INDOLE DERIVATIVES AS CBL RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2008-03-27 WO disclosed
EP-1863810-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1' RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006101434-A1 NOVEL TETRAHYDRO-1H-PYRIDO [4,3-b] INDOLE DERIVATIVES AS CB1’ RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-09-28 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 (4 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-20120108606-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 BAZ2B 2717/4885HDAC6 574/4885HDAC1 753/4885
US-20090163511-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 BAZ2B 2717/4885HDAC6 574/4885HDAC1 753/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 BAZ2B 1875/4885HDAC6 2650/4885HDAC1 1291/4885
US-20140045882-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 BAZ2B 2717/4885HDAC6 574/4885HDAC1 753/4885

“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.