SCHEMBL4137103

SCHEMBL4137103

CN1CCc2c(c3cc(C(F)(F)F)ccc3n2Cc2cccnc2)C1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.84
HRH1 P35367 16/20 0.68
ADRA2A P08913 2/20 0.53
ADRA1A P35348 2/20 0.53
DRD3 P35462 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
OPRM1 P35372 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KCNH2 Q12809 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
BCHE P06276 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
SCHEMBL4132463 0.91 HTR6 (1.00) HTR6HRH1ADRA2AADRA1ADRD3
SCHEMBL4127555 0.88 HTR6 (0.83) HTR6HRH1ADRA2AADRA1ADRD3
SCHEMBL4138464 0.88 HTR6 (0.82) HTR6HRH1ADRA2AADRA1ADRD3
SCHEMBL8034738 0.87 HRH1 (0.83) HTR6HRH1ADRA2AADRA1ADRD3
SCHEMBL4132873 0.85 HTR6 (0.62) HTR6HRH1
SCHEMBL4127989 0.83 HRH1 (0.83) HTR6HRH1ADRA2AADRA1ADRD3
SCHEMBL13834515 0.83 HTR6 (0.70) HTR6HRH1HDAC1HDAC6
SCHEMBL13834065 0.82 HTR6 (0.69) HTR6HRH1HDAC1HDAC6BCHE
SCHEMBL4138331 0.82 HTR6 (0.59) HTR6HRH1HDAC1HDAC6
SCHEMBL14067857 0.82 HRH1 (0.61) 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.