SCHEMBL167354

SCHEMBL167354

CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)c2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.65
HDAC1 Q13547 4/20 0.62
HDAC6 Q9UBN7 4/20 0.62
BAZ2B Q9UIF8 4/20 0.60
PTGER2 P43116 1/20 0.54
PTGDR Q13258 1/20 0.54
ADRA2A P08913 2/20 0.51
ADRA1A P35348 2/20 0.51
CHRM2 P08172 1/20 0.51
HTR1A P08908 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
HRH1 P35367 2/20 0.51
HTR6 P50406 2/20 0.51

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
SCHEMBL168946 0.94 HDAC6 (0.67) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL13293750 0.93 PTGDR2 (0.60) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL12819800 0.92 PTGDR2 (0.57) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL169055 0.90 HDAC1 (0.62) PTGDR2HDAC1HDAC6BAZ2BHRH1
SCHEMBL13834884 0.90 HDAC1 (0.60) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL169209 0.88 PTGDR2 (0.66) PTGDR2HDAC1HDAC6PTGDRADRA2A
SCHEMBL3319843 0.88 BAZ2B (0.76) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL2190950 0.87 PTGDR2 (0.59) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL13293753 0.86 HDAC1 (0.57) PTGDR2HDAC1HDAC6BAZ2BPTGER2
SCHEMBL15132702 0.85 BAZ2B (0.65) PTGDR2HDAC1HDAC6BAZ2BPTGER2

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 13 patents. 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
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-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 148/4885HDAC1 4018/4885HDAC6 3393/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C PTGDR2 148/4885HDAC1 4018/4885HDAC6 3393/4885

“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.