SCHEMBL4132802

SCHEMBL4132802

CCC1NCCc2c1c1ccccc1n2Cc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.42
HTR6 P50406 5/20 0.42
CXCR4 P61073 2/20 0.39
CNR2 P34972 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GABRA5 P31644 2/20 0.37
BRD4 O60885 2/20 0.37
KCNH2 Q12809 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
GABRA1 P14867 1/20 0.36

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
SCHEMBL4139285 0.83 HTR6 (0.42) HRH1HTR6CNR2KCNH2
SCHEMBL8034674 0.74 HDAC1 (0.54) HRH1HTR6CNR2RIPK3
SCHEMBL12895007 0.70 HTR6 (0.48) HRH1HTR6CNR2
SCHEMBL8040964 0.68 HTR6 (0.82) HRH1HTR6KCNH2
SCHEMBL5428183 0.68 BRD4 (0.34) HTR6BRD4KCNH2
SCHEMBL8039564 0.67 HTR6 (0.71) HRH1HTR6KCNH2
SCHEMBL21883969 0.65 ABCB1 (0.45)
SCHEMBL8025156 0.64 HRH1 (0.54) HRH1HTR6CNR2
SCHEMBL11459781 0.63 MEN1 (0.63) CNR2GABRA5GABRA1
SCHEMBL950899 0.62 HRH1 (0.47) HRH1HTR6CXCR4CNR2GABRA5

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 11 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

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 HRH1 31/4885HTR6 10/4885CXCR4 1234/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885CXCR4 1234/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885CXCR4 1234/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885CXCR4 1234/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885CXCR4 1234/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885CXCR4 1234/4885

“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.