SCHEMBL4125625

SCHEMBL4125625

Cc1ccc2c(c1)c1c(n2Cc2ccc(F)cc2)CCN(C)C1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.81
HRH1 P35367 14/20 0.81
ADRA2A P08913 4/20 0.69
ADRA1A P35348 4/20 0.69
HTR2A P28223 3/20 0.69
HTR2C P28335 3/20 0.69
HTR7 P34969 3/20 0.69
HDAC1 Q13547 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
DRD2 P14416 2/20 0.64
DRD3 P35462 2/20 0.64
BCHE P06276 1/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
ACHE P22303 1/20 0.64
HRH2 P25021 1/20 0.64
ADRA1D P25100 1/20 0.64
HTR1D P28221 1/20 0.64
HTR1E P28566 1/20 0.64
ADRA1B P35368 1/20 0.64

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
SCHEMBL3718707 0.90 HTR6 (1.00) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL633118 0.88 HRH1 (0.80) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL8032547 0.88 HTR6 (0.88) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL4138892 0.85 HTR6 (0.68) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL4138181 0.85 HTR6 (0.81) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL4125370 0.84 CHRM2 (0.81) HTR6HRH1ADRA2AADRA1AHDAC1
SCHEMBL3714162 0.84 HRH1 (0.84) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL14067858 0.84 HDAC6 (0.63) HTR6HRH1ADRA2AADRA1AHDAC1
SCHEMBL8022774 0.83 HTR6 (0.88) HTR6HRH1ADRA2AADRA1AHTR2A
SCHEMBL8038660 0.83 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ADRD3

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 12 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-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 (6 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-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.