SCHEMBL3032023

SCHEMBL3032023

Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2)CCN(C)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.75
GRIN2A Q12879 3/20 0.75
GRIN2B Q13224 3/20 0.75
GRIN2D O15399 2/20 0.75
GRIN3B O60391 2/20 0.75
GRIN2C Q14957 2/20 0.75
GRIN3A Q8TCU5 2/20 0.75
BCHE P06276 5/20 0.68
HTR6 P50406 13/20 0.67
HRH1 P35367 12/20 0.67
ADRA2A P08913 4/20 0.67
HTR2A P28223 4/20 0.67
HTR2C P28335 4/20 0.67
HTR7 P34969 4/20 0.67
ADRA1A P35348 4/20 0.67
DRD2 P14416 3/20 0.67
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53

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
SCHEMBL1225705 0.94 BCHE (0.66) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL2174231 0.93 GRIN1 (0.71) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL3229857 0.92 GRIN2D (0.64) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13654632 0.91 GRIN2D (0.62) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL1225397 0.89 BCHE (0.68) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL167305 0.89 HTR6 (0.69) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL168755 0.89 HRH1 (0.69) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL12480534 0.89 GRIN1 (0.63) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL8041273 0.89 BCHE (0.68) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL13834422 0.88 GRIN1 (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907097-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC. (US) 2014-12-09 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
US-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ALLA CHEM, LLC (US) 2011-02-17 US disclosed
EP-2236511-A2 LIGANDS OF ALPHA-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF Alla Chem, LLC. (US) 2010-10-06 EP disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
WO-2009082268-A2 LIGANDS OF α-ADRENOCEPTORS AND OF DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THE USE THEREOF ALLA CHEM, LLC (US) 2009-07-02 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-20110039825-A1 LIGANDS OF ALPHA-ADRENOCEPTORS, DOPAMINE, HISTAMINE, IMIDAZOLINE AND SEROTONIN RECEPTORS AND THEIR USE ADRB3, ADRA2C, ADRB2 GRIN1 425/4885GRIN2A 594/4885GRIN2B 522/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A GRIN1 95/4885GRIN2A 27/4885GRIN2B 40/4885

“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.