SCHEMBL3030296

SCHEMBL3030296

COCCCN1CCc2c(c3cc(C)ccc3n2CC(C)(O)c2ccncc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.48
HTR6 P50406 12/20 0.48
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
ADRA2A P08913 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR7 P34969 3/20 0.41
ADRA1A P35348 3/20 0.41
HTR5A P47898 3/20 0.40
DRD2 P14416 2/20 0.39
BCHE P06276 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL17590175 0.87 GRIN2B (0.55) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL169178 0.85 HRH1 (0.49) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL169478 0.85 HRH1 (0.66) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13354884 0.83 HRH1 (0.48) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13293774 0.82 HRH1 (0.56) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13293741 0.81 HRH1 (0.46) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL169623 0.80 HRH1 (0.61) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL13293742 0.80 HRH1 (0.47) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL12820282 0.80 HRH1 (0.55) HRH1HTR6GRIN1GRIN2AGRIN2B
SCHEMBL12819359 0.78 HRH1 (0.43) HRH1HTR6GRIN1GRIN2AGRIN2B

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 HRH1 537/4885HTR6 13/4885GRIN1 95/4885
US-20130190322-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HRH1 537/4885HTR6 13/4885GRIN1 95/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A HRH1 537/4885HTR6 13/4885GRIN1 95/4885

“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.