SCHEMBL4132976

SCHEMBL4132976

CCOC(=O)CCCN1CCc2c(c3cc(F)ccc3n2Cc2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.56
TBXA2R P21731 2/20 0.47
HTR6 P50406 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2B Q13224 1/20 0.46
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TBXAS1 P24557 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL14067785 0.91 HRH1 (0.59) HRH1TBXA2RHTR6GRIN2BCYP17A1
SCHEMBL4137410 0.88 HRH1 (0.58) HRH1TBXA2RHTR6MEN1KMT2A
SCHEMBL14067941 0.88 HRH1 (0.66) HRH1HTR6GRIN2B
SCHEMBL14067795 0.85 HRH1 (0.64) HRH1HTR6GRIN2BPTGDR2
SCHEMBL4138331 0.85 HTR6 (0.59) HRH1TBXA2RHTR6MEN1KMT2A
SCHEMBL14067659 0.83 HTR6 (0.52) HRH1HTR6MEN1KMT2AGRIN2B
SCHEMBL14067656 0.82 PTGDR2 (0.55) GRIN2BPTGDR2
SCHEMBL4132622 0.82 HDAC6 (0.49) HRH1TBXA2RHTR6MEN1KMT2A
SCHEMBL14067784 0.81 HRH1 (0.56) HRH1HTR6GRIN2BHDAC1HDAC6
SCHEMBL14067986 0.81 GRIN2B (0.56) HRH1HTR6MEN1KMT2AGRIN2B

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-2008115098-A2 SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLES, METHODS FOR THE PRODUCTION AND THE USE THEREOF ALLA CHEM, LLC (US) 2008-09-25 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 HRH1 31/4885TBXA2R 156/4885HTR6 10/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885HTR6 10/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885HTR6 10/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885HTR6 10/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885HTR6 10/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885HTR6 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.