SCHEMBL3714583

SCHEMBL3714583

COc1ccc2c(c1)c1c(n2CCC(N)=S)CCN(C)C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.72
MAOB P27338 5/20 0.72
HTR6 P50406 9/20 0.66
HRH1 P35367 8/20 0.66
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
BCHE P06276 1/20 0.55
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
ADRA2A P08913 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
DRD2 P14416 2/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL3723255 0.85 HTR6 (0.66) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL3725034 0.84 BAZ2B (0.58) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL3717410 0.84 HTR6 (0.67) MAOAMAOBHTR6HRH1BCHE
SCHEMBL3717521 0.84 MAOA (0.68) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL15124551 0.83 MAOA (0.69) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL3714889 0.82 MAOA (0.68) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL3718931 0.82 MAOA (0.68) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL8021887 0.79 HTR6 (1.00) MAOAMAOBHTR6HRH1HDAC6
SCHEMBL8035105 0.77 HRH1 (1.00) MAOAMAOBHTR6HRH1ADRA2A
SCHEMBL8038733 0.77 HTR6 (0.77) MAOAMAOBHTR6HRH1HDAC6

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 MAOA 210/4885MAOB 193/4885HTR6 10/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MAOA 210/4885MAOB 193/4885HTR6 10/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MAOA 210/4885MAOB 193/4885HTR6 10/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MAOA 210/4885MAOB 193/4885HTR6 10/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A MAOA 210/4885MAOB 193/4885HTR6 10/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A MAOA 210/4885MAOB 193/4885HTR6 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.