SCHEMBL12458232

SCHEMBL12458232

CN1CCc2c(n(-c3ccc4cnccc4c3)c3ccc(Cl)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.39
KCNH2 Q12809 2/20 0.37
BAZ2B Q9UIF8 1/20 0.36
CYP19A1 P11511 1/20 0.35
MAT2A P31153 4/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRMT5 O14744 1/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL12458236 0.83 MCHR1 (0.41) AOC3KCNH2BAZ2BMAT2AHRH1
SCHEMBL13306236 0.82 BAZ2B (0.44) BAZ2BMAT2AHDAC1HDAC6MCHR1
SCHEMBL2363288 0.81 HTR6 (0.53) HRH1HTR6
SCHEMBL13306557 0.78 HTR5A (0.47) HTR6
SCHEMBL2362627 0.77 HTR6 (0.53) HRH1HTR6
SCHEMBL13654440 0.77 HRH1 (0.42) BAZ2BMAT2AHDAC1HDAC6HRH1
SCHEMBL13665765 0.75 HRH1 (0.43) MAT2APRMT5HRH1HTR6MCHR1
SCHEMBL12458865 0.74 HDAC1 (0.37) BAZ2BMAT2AHDAC1HDAC6HRH1
SCHEMBL13306239 0.74 HTR6 (0.38) KCNH2BAZ2BHDAC1HDAC6HRH1
SCHEMBL13665491 0.74 MCHR1 (0.49) BAZ2BHDAC1HDAC6HTR6MCHR1

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 AOC3 577/4885KCNH2 428/4885BAZ2B 573/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B AOC3 759/4885KCNH2 852/4885BAZ2B 864/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C AOC3 665/4885KCNH2 1470/4885BAZ2B 1528/4885

“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.