SCHEMBL4138181

SCHEMBL4138181

CN1CCc2c(c3cc(F)ccc3n2Cc2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.81
HRH1 P35367 12/20 0.81
ADRA2A P08913 2/20 0.73
ADRA1A P35348 2/20 0.73
CHRM2 P08172 1/20 0.73
HTR1A P08908 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD1 P21728 1/20 0.73
SLC6A2 P23975 1/20 0.73
SLC6A4 P31645 1/20 0.73
OPRM1 P35372 1/20 0.73
DRD3 P35462 1/20 0.73
SLC6A3 Q01959 1/20 0.73
KCNH2 Q12809 1/20 0.73
ALDH1A1 P00352 1/20 0.72
GAA P10253 1/20 0.72
TSHR P16473 1/20 0.72
DRD2 P14416 1/20 0.61
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61

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
SCHEMBL8036733 0.93 HTR6 (0.71) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL4139227 0.89 HTR6 (1.00) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL4138892 0.89 HTR6 (0.68) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL8038660 0.88 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL8022786 0.87 HTR6 (0.87) HTR6HRH1ADRA2AADRA1ADRD2
SCHEMBL4125265 0.87 HTR6 (0.65) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL8034738 0.87 HRH1 (0.83) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL633118 0.87 HRH1 (0.80) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL4125370 0.85 CHRM2 (0.81) HTR6HRH1ADRA2AADRA1ACHRM2
SCHEMBL4138464 0.85 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ACHRM2

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-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 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
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
WO-2008123800-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES ALLA CHEM, LLC (US) 2008-10-16 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 (7 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885
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-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885ADRA2A 200/4885
US-20140194414-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.