SCHEMBL12458236

SCHEMBL12458236

CN1CCc2c(n(-c3ccc(-c4ccncc4)cc3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
DRD2 P14416 2/20 0.39
MAT2A P31153 2/20 0.38
BAZ2B Q9UIF8 1/20 0.38
AOC3 Q16853 2/20 0.38
HRH1 P35367 2/20 0.38
HTR6 P50406 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL13306236 0.88 BAZ2B (0.44) MCHR1MAT2ABAZ2B
SCHEMBL13654440 0.85 HRH1 (0.42) MCHR1MAT2ABAZ2BHRH1HTR6
SCHEMBL13306557 0.83 HTR5A (0.47) HTR6
SCHEMBL12458232 0.83 AOC3 (0.39) MCHR1MAT2ABAZ2BAOC3HRH1
SCHEMBL12459086 0.80 HTR6 (0.60) DRD2HRH1HTR6
SCHEMBL13665491 0.79 MCHR1 (0.49) MCHR1BAZ2BHTR6
SCHEMBL13242303 0.79 HDAC1 (0.50) MCHR1DRD2BAZ2BHRH1HTR6
SCHEMBL12458768 0.77 HRH1 (0.47) DRD2HRH1HTR6
SCHEMBL12458830 0.75 HTR6 (0.43) DRD2BAZ2BHRH1HTR6
SCHEMBL13665484 0.75 HTR5A (0.46) MCHR1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2016-02-04 US disclosed
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2016-02-04 US disclosed
US-9199985-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9199985-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9187471-B2 Pyrido [4,3-b] indole and pyrido [3,4-b] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-17 US disclosed
US-9187471-B2 Pyrido [4,3-b] indole and pyrido [3,4-b] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-17 US disclosed
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-02 US disclosed
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-02 US disclosed
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
WO-2011103430-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 (3 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-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 MCHR1 88/4885DRD2 192/4885MAT2A 1471/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B MCHR1 119/4885DRD2 69/4885MAT2A 465/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C MCHR1 598/4885DRD2 30/4885MAT2A 764/4885

“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.