SCHEMBL169113

SCHEMBL169113

Cc1ccc2[nH]c3c(c2c1)CN(C)C(C)C3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ACHE P22303 4/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
BAZ2B Q9UIF8 1/20 0.49
RB1 P06400 4/20 0.48
LMNA P02545 1/20 0.45
PABPC1 P11940 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCHR1 Q99705 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 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
SCHEMBL26837002 0.86 L3MBTL1 (0.54) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL2186300 0.84 BAZ2B (0.50) L3MBTL1BAZ2BMCHR1
SCHEMBL15570820 0.81 L3MBTL1 (0.52) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL12868029 0.77 L3MBTL1 (0.73) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL2186548 0.75 MCHR1 (0.54) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL26837019 0.75 DRD1 (0.48) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
Dehydrostobadine SCHEMBL167500 0.74 L3MBTL1 (0.97) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
Dehydrostobadine SCHEMBL29468212 0.74 L3MBTL1 (0.97) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL2511193 0.73 L3MBTL1 (0.52) L3MBTL1ACHEGRIN1GRIN2AGRIN2D
SCHEMBL17220795 0.73 L3MBTL1 (0.52) L3MBTL1ACHEGRIN1GRIN2AGRIN2D

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 28 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-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-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 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-8815843-B2 Compounds and methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2014-08-26 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
WO-2012112966-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP disclosed
WO-2011103448-A1 METHODS AND COMPOSITIONS FOR TREATING PSYCHOTIC DISORDERS USING ANTIPSYCHOTIC COMBINATION THERAPY MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO disclosed
EP-2346332-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES Medivation Technologies, Inc. (US) 2011-07-27 EP disclosed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 L3MBTL1 2178/4885ACHE 118/4885GRIN1 95/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885ACHE 3259/4885GRIN1 1388/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 L3MBTL1 3727/4885ACHE 3259/4885GRIN1 1388/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C L3MBTL1 4552/4885ACHE 204/4885GRIN1 86/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A L3MBTL1 2178/4885ACHE 118/4885GRIN1 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.