SCHEMBL12426708

SCHEMBL12426708

Cc1ccc(CCc2cc(C)nc3c4c([nH]c23)CCN2CCCC42)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.39
TLR7 Q9NYK1 2/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRIN2B Q13224 2/20 0.31
HRH1 P35367 2/20 0.31
HTR6 P50406 2/20 0.31
BCHE P06276 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ACHE P22303 1/20 0.31
HRH2 P25021 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL12425181 0.89 HRH3 (0.38) MCHR1HRH3HRH1SIGMAR1
SCHEMBL12425187 0.83 MCHR1 (0.41) MCHR1TLR7TLR9TLR8KCNH2
SCHEMBL12426691 0.80 MCHR1 (0.47) MCHR1KCNH2HRH3GRIN2BHRH1
SCHEMBL13834553 0.73 MCHR1 (0.46) MCHR1KCNH2HRH3GRIN2BHRH1
SCHEMBL13834099 0.73 HRH1 (0.47) MCHR1KCNH2HRH3GRIN2BHRH1
SCHEMBL12426710 0.70 HRH1 (0.40) MCHR1HRH3HRH1HTR6SIGMAR1
SCHEMBL13834022 0.70 KDM4E (0.46) MCHR1KCNH2HRH3GRIN2BHRH1
SCHEMBL2511055 0.69 MCHR1 (0.49) MCHR1KCNH2HRH3GRIN2BHRH1
SCHEMBL13833905 0.68 KDM4E (0.60) MCHR1GRIN2BHRH1HTR6BCHE
SCHEMBL13833896 0.68 HRH1 (0.62) MCHR1GRIN2BHRH1HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2015-11-26 US disclosed
US-9034865-B2 Pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-9034865-B2 Pyrido [4,3-B] indole and pyrido [3,4-B] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-20140303144-A1 COMPOUNDS AND METHODS OF TREATING HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-09 US disclosed
US-20140303144-A1 COMPOUNDS AND METHODS OF TREATING HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-09 US disclosed
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-14 US disclosed
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-14 US disclosed
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-22 US disclosed
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-08-22 US disclosed
WO-2011103433-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 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-20140303144-A1 COMPOUNDS AND METHODS OF TREATING HYPERTENSION ADRB2, ADRA2B, ADRA2C MCHR1 102/4885TLR7 3713/4885TLR9 3978/4885
US-20140228353-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C MCHR1 119/4885TLR7 4097/4885TLR9 4520/4885
US-20130217675-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C MCHR1 583/4885TLR7 3061/4885TLR9 3835/4885
US-20150335654-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR3B, HTR4, HTR2C MCHR1 583/4885TLR7 3061/4885TLR9 3835/4885

“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.