SCHEMBL3715259

SCHEMBL3715259

Cc1ccc(CCn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 1.00
HRH1 P35367 18/20 1.00
ADRA2A P08913 3/20 1.00
HTR2A P28223 3/20 1.00
HTR2C P28335 3/20 1.00
HTR7 P34969 3/20 1.00
ADRA1A P35348 3/20 1.00
DRD2 P14416 2/20 0.86
GRIN1 Q05586 2/20 0.78
GRIN2A Q12879 2/20 0.78
GRIN2B Q13224 2/20 0.78
BCHE P06276 1/20 0.78
ADRA2B P18089 1/20 0.78
ADRA2C P18825 1/20 0.78
ACHE P22303 1/20 0.78
HRH2 P25021 1/20 0.78
ADRA1D P25100 1/20 0.78
HTR1D P28221 1/20 0.78
HTR1E P28566 1/20 0.78
ADRA1B P35368 1/20 0.78

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
SCHEMBL8035213 0.94 HTR6 (0.89) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL15868711 0.94 HTR6 (0.89) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3718707 0.93 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13696255 0.93 HTR6 (0.87) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14963874 0.93 HTR6 (0.87) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3718578 0.93 HTR6 (0.87) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL8025066 0.93 HTR6 (0.86) HTR6HRH1ADRA2AHTR2AHTR2C
Maritupirdine SCHEMBL30149466 0.93 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3627160 0.93 HTR6 (0.86) HTR6HRH1ADRA2AHTR2AHTR2C
Maritupirdine SCHEMBL3717876 0.93 HTR6 (1.00) 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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP disclosed
EP-2217598-A1 NEW TETRACYCLIC COMPOUNDS Medivation Technologies, Inc. (US) 2010-08-18 EP disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2009082268-A2 LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF ALLA CHEM, LLC (US) 2009-07-02 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
WO-2009055828-A1 NEW TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2009-04-30 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885HRH1 93/4885ADRA2A 11/4885
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 HTR6 40/4885HRH1 19/4885ADRA2A 11/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885

“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.