SCHEMBL3723712

SCHEMBL3723712

CC(C)c1cccc2c1c1c(n2CCc2ccc(C(F)(F)F)nc2)CCN(C)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTR6 P50406 18/20 0.47
HRH1 P35367 17/20 0.47
ADRA2A P08913 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
ADRA1A P35348 2/20 0.46
BCHE P06276 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ACHE P22303 1/20 0.46
HRH2 P25021 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1E P28566 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL1901180 0.82 ALDH1A1 (0.74) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4127637 0.81 HTR6 (0.52) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4136366 0.81 HTR6 (0.55) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4139607 0.81 KDM4E (0.57) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4132866 0.81 HTR6 (0.60) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4130574 0.81 HTR6 (0.53) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4132870 0.78 HTR6 (0.59) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4141892 0.78 HTR6 (0.61) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL1907888 0.77 HTR6 (0.77) KDM4EALDH1A1HTR6HRH1ADRA2A
SCHEMBL4133810 0.77 HTR6 (0.66) KDM4EALDH1A1HTR6HRH1ADRA2A

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 13 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
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
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 (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 KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A KDM4E 894/4885ALDH1A1 1557/4885HTR6 10/4885

“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.