SCHEMBL4132541

SCHEMBL4132541

CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccccc2)CCN(CCc2cccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.53
HTR6 P50406 3/20 0.53
ACHE P22303 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR3 Q99500 1/20 0.48
HDAC6 Q9UBN7 8/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC10 Q969S8 1/20 0.47
CNR1 P21554 1/20 0.45

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
SCHEMBL4125429 0.94 HRH1 (0.55) HRH1HTR6ACHES1PR3HDAC6
SCHEMBL4136153 0.94 ACHE (0.53) HRH1HTR6ACHEMEN1KMT2A
SCHEMBL4138899 0.88 HRH1 (0.59) HRH1HTR6ACHEHDAC6HDAC1
SCHEMBL4132622 0.87 HDAC6 (0.49) HRH1HTR6ACHEMEN1KMT2A
SCHEMBL14067979 0.84 HDAC6 (0.61) HRH1HTR6MEN1KMT2AHDAC6
SCHEMBL4139584 0.84 ADRA2A (0.61) HRH1HTR6MEN1KMT2AHDAC6
SCHEMBL14067793 0.81 HRH1 (0.65) HRH1HTR6ACHE
SCHEMBL4137803 0.81 HDAC6 (0.60) HDAC6HDAC1HDAC10CNR1
SCHEMBL14067792 0.81 HRH1 (0.61) HRH1HTR6MEN1KMT2AHDAC6
SCHEMBL8034835 0.80 HRH1 (0.68) HRH1HTR6ACHEMEN1KMT2A

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 10/4885ACHE 240/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ACHE 240/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ACHE 240/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ACHE 240/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ACHE 240/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HRH1 31/4885HTR6 10/4885ACHE 240/4885

“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.