SCHEMBL3028855

SCHEMBL3028855

CNC(=O)c1ccc(C(C)=Cn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.55
HDAC1 Q13547 6/20 0.55
HTR6 P50406 12/20 0.53
HRH1 P35367 6/20 0.52
ADRA2A P08913 3/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 3/20 0.52
HTR7 P34969 3/20 0.52
ADRA1A P35348 3/20 0.52
DRD2 P14416 2/20 0.52
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL16469694 1.00 HDAC6 (0.55) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL13221263 1.00 HDAC6 (0.55) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL13221312 0.92 HTR6 (0.52) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL15124874 0.92 HTR6 (0.52) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL15124875 0.92 HTR6 (0.52) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL13834071 0.88 HDAC6 (0.53) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL3034228 0.87 HTR6 (0.58) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL3034224 0.87 HTR6 (0.58) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL3034220 0.87 HTR6 (0.58) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL3030319 0.86 HTR6 (0.53) HDAC6HDAC1HTR6HRH1ADRA2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-8906925-B2 Pyrido[4,3-B]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 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 (3 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC6 3259/4885HDAC1 4026/4885HTR6 13/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC6 3259/4885HDAC1 4026/4885HTR6 13/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HDAC6 3259/4885HDAC1 4026/4885HTR6 13/4885

“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.