SCHEMBL2362944

SCHEMBL2362944

Cc1ccc2c(c1)c1c(n2-c2ccc(C(F)(F)F)nc2)CCN(C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.51
HRH1 P35367 11/20 0.51
ADRA2A P08913 4/20 0.48
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR7 P34969 4/20 0.48
ADRA1A P35348 4/20 0.48
DRD2 P14416 3/20 0.48
GRIN2B Q13224 2/20 0.48
BCHE P06276 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
HRH2 P25021 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1E P28566 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL13241457 0.89 HDAC1 (0.41) HTR6HRH1HTR5AHDAC6
SCHEMBL2361950 0.86 HTR6 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13368695 0.84 HTR6 (0.67) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL17263659 0.83 HTR6 (0.55) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2363025 0.82 HTR6 (0.50) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13242090 0.81 HTR6 (0.48) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL1905364 0.80 HTR6 (0.77) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13241776 0.80 HTR6 (0.65) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13368693 0.79 HTR6 (0.58) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3717178 0.79 HTR6 (0.68) HTR6HRH1ADRA2AHTR2AHTR2C

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-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-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-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-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
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-25 US disclosed
US-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-25 US disclosed
WO-2012112962-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2012112963-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO 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
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 (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-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C HTR6 7/4885HRH1 1476/4885ADRA2A 382/4885
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 48/4885HRH1 96/4885ADRA2A 11/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B HTR6 59/4885HRH1 246/4885ADRA2A 4/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C HTR6 7/4885HRH1 1476/4885ADRA2A 382/4885

“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.