SCHEMBL4132622

SCHEMBL4132622

CCOC(=O)c1ccc2c(c1)c1c(n2Cc2cccnc2)CCN(Cc2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.49
HDAC1 Q13547 6/20 0.49
HRH1 P35367 2/20 0.49
HDAC10 Q969S8 1/20 0.47
ACHE P22303 2/20 0.47
S1PR3 Q99500 2/20 0.46
MAPT P10636 2/20 0.45
CNR1 P21554 2/20 0.45
HTR6 P50406 2/20 0.44
TBXA2R P21731 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42

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) HDAC6HDAC1HRH1HDAC10ACHE
SCHEMBL4136153 0.94 ACHE (0.53) HDAC6HDAC1HRH1HDAC10ACHE
SCHEMBL14067979 0.88 HDAC6 (0.61) HDAC6HDAC1HRH1HDAC10MAPT
SCHEMBL4132541 0.87 HRH1 (0.53) HDAC6HDAC1HRH1HDAC10ACHE
SCHEMBL14067987 0.86 HDAC1 (0.56) HDAC6HDAC1HRH1HDAC10MAPT
SCHEMBL4138899 0.86 HRH1 (0.59) HDAC6HDAC1HRH1HDAC10ACHE
SCHEMBL14067785 0.83 HRH1 (0.59) HRH1HTR6TBXA2R
SCHEMBL4132976 0.82 HRH1 (0.56) HDAC6HDAC1HRH1HTR6TBXA2R
SCHEMBL4146181 0.79 HRH1 (0.47) HDAC6HDAC1HRH1MAPTHTR6
SCHEMBL14067653 0.78 HRH1 (0.58) HRH1HTR6TBXA2R

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 HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885

“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.