SCHEMBL166738

SCHEMBL166738

CCN1CCc2c(c3cc(C)ccc3n2CC(CC(=O)O)c2ccnc(C)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.55
GRIN1 Q05586 3/20 0.55
GRIN2A Q12879 3/20 0.55
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
BCHE P06276 5/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
PTGDR Q13258 1/20 0.40
HDAC1 Q13547 2/20 0.40
HRH1 P35367 4/20 0.40
HTR6 P50406 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13293831 0.94 BCHE (0.48) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12820254 0.93 BCHE (0.47) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL14729203 0.91 GRIN1 (0.53) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL10315928 0.91 GRIN2B (0.53) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL169669 0.91 GRIN2B (0.53) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL17502039 0.86 GRIN2B (0.54) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL13306333 0.85 BCHE (0.46) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL13293851 0.85 BCHE (0.46) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL13293823 0.85 BCHE (0.46) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL14729219 0.84 BCHE (0.46) GRIN2BGRIN1GRIN2AGRIN2DGRIN3B

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP claimed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 US claimed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 US claimed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US claimed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US claimed
CN-102480956-A Pyrido [4,3-b] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2012-05-30 CN claimed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP claimed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 WO claimed
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
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GRIN2B 25/4885GRIN1 86/4885GRIN2A 40/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C GRIN2B 25/4885GRIN1 86/4885GRIN2A 40/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GRIN2B 242/4885GRIN1 1388/4885GRIN2A 739/4885

“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.