SCHEMBL2188691

SCHEMBL2188691

CCCc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 2/20 0.48
HTR6 P50406 15/20 0.47
HRH1 P35367 14/20 0.47
SIRT2 Q8IXJ6 1/20 0.42
BCHE P06276 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 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
SCHEMBL2192369 0.88 HTR6 (0.53) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL13696100 0.88 HTR6 (0.53) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL13696099 0.88 HTR6 (0.53) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL14326084 0.87 HDAC1 (0.56) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL2190788 0.85 HDAC1 (0.49) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL2189765 0.85 HDAC1 (0.57) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL15629430 0.85 HDAC6 (0.42) HDAC6HDAC1HTR6HRH1
SCHEMBL13696111 0.83 HDAC1 (0.51) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL2187421 0.83 HDAC1 (0.51) HDAC6HDAC1HTR6HRH1BCHE
SCHEMBL13696110 0.83 HDAC1 (0.51) HDAC6HDAC1HTR6HRH1BCHE

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 US 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 (2 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-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC6 3259/4885HDAC1 4026/4885HTR6 13/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HTR6 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.