SCHEMBL2174231

SCHEMBL2174231

Cc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.71
GRIN2A Q12879 3/20 0.71
GRIN2B Q13224 3/20 0.71
GRIN2D O15399 2/20 0.71
GRIN3B O60391 2/20 0.71
GRIN2C Q14957 2/20 0.71
GRIN3A Q8TCU5 2/20 0.71
HTR6 P50406 12/20 0.66
HRH1 P35367 11/20 0.66
ADRA2A P08913 3/20 0.66
HTR2A P28223 3/20 0.66
HTR2C P28335 3/20 0.66
HTR7 P34969 3/20 0.66
ADRA1A P35348 3/20 0.66
BCHE P06276 4/20 0.65
DRD2 P14416 2/20 0.60
HDAC6 Q9UBN7 2/20 0.58
HDAC1 Q13547 1/20 0.58
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55

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
SCHEMBL167305 0.93 HTR6 (0.69) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL3032023 0.93 GRIN1 (0.75) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL3229649 0.92 GRIN2D (0.60) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL168755 0.91 HRH1 (0.69) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13654636 0.91 GRIN1 (0.59) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480534 0.91 GRIN1 (0.63) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13834320 0.91 GRIN1 (0.63) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13834422 0.90 GRIN1 (0.65) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12479795 0.90 GRIN1 (0.65) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12479775 0.90 GRIN1 (0.62) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B

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 87 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-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-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
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 GRIN1 95/4885GRIN2A 27/4885GRIN2B 40/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A GRIN1 55/4885GRIN2A 28/4885GRIN2B 47/4885

“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.