SCHEMBL4137410

SCHEMBL4137410

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.58
TBXA2R P21731 3/20 0.56
TBXAS1 P24557 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR6 P50406 1/20 0.47
PTGDR2 Q9Y5Y4 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP3A4 P08684 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL4132976 0.88 HRH1 (0.56) HRH1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL14067653 0.86 HRH1 (0.58) HRH1TBXA2RTBXAS1HTR6PTGDR2
SCHEMBL4132873 0.83 HTR6 (0.62) HRH1TBXA2RHTR6PTGDR2
SCHEMBL8034738 0.82 HRH1 (0.83) HRH1TBXA2RHTR6
SCHEMBL4125506 0.81 HTR6 (0.54) HRH1TBXA2RHTR6PTGDR2HDAC1
SCHEMBL14067785 0.81 HRH1 (0.59) HRH1TBXA2RHTR6PTGDR2CYP17A1
SCHEMBL8033025 0.79 HRH1 (0.74) HRH1TBXA2RHTR6CYP17A1CYP3A4
SCHEMBL14067941 0.77 HRH1 (0.66) HRH1HTR6
SCHEMBL14067795 0.76 HRH1 (0.64) HRH1HTR6PTGDR2
SCHEMBL4132622 0.76 HDAC6 (0.49) HRH1TBXA2RMEN1KMT2AHTR6

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 156/4885TBXAS1 1187/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885TBXAS1 1187/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885TBXAS1 1187/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885TBXAS1 1187/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885TBXAS1 1187/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885TBXA2R 156/4885TBXAS1 1187/4885

“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.