SCHEMBL168828

SCHEMBL168828

CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.54
HRH1 P35367 15/20 0.52
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
BAZ2B Q9UIF8 2/20 0.43
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
SCHEMBL13293776 0.94 HTR6 (0.46) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL12820291 0.93 HTR6 (0.45) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL2185501 0.90 HRH1 (0.66) HTR6HRH1HDAC1HDAC6BCHE
SCHEMBL13696110 0.90 HDAC1 (0.51) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL2187421 0.90 HDAC1 (0.51) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL13696111 0.90 HDAC1 (0.51) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL168313 0.89 HTR6 (0.58) HTR6HRH1HDAC1HDAC6
SCHEMBL166839 0.89 HTR6 (0.53) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL2194253 0.88 HDAC1 (0.53) HTR6HRH1HDAC1HDAC6BAZ2B
SCHEMBL12480082 0.88 HTR6 (0.55) HTR6HRH1HDAC1HDAC6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US claimed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US claimed
CN-102480955-A Pyrido [4,3-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2012-05-30 CN claimed
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP claimed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO claimed
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-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 (4 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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885HDAC1 4018/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885HDAC1 4018/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HTR6 13/4885HRH1 537/4885HDAC1 4026/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HTR6 10/4885HRH1 31/4885HDAC1 4146/4885

“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.