SCHEMBL3316756

SCHEMBL3316756

Cc1ccc2c(c1)c1c(n2CCO)CCN(C)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.73
HRH1 P35367 11/20 0.73
ADRA2A P08913 3/20 0.73
HTR2A P28223 3/20 0.73
HTR2C P28335 3/20 0.73
HTR7 P34969 3/20 0.73
ADRA1A P35348 3/20 0.73
DRD2 P14416 2/20 0.70
GRIN1 Q05586 2/20 0.65
GRIN2A Q12879 2/20 0.65
GRIN2B Q13224 2/20 0.65
GRIN2D O15399 1/20 0.65
GRIN3B O60391 1/20 0.65
GRIN2C Q14957 1/20 0.65
GRIN3A Q8TCU5 1/20 0.65
BCHE P06276 2/20 0.64
ADRA2B P18089 1/20 0.64
ADRA2C P18825 1/20 0.64
ACHE P22303 1/20 0.64
HRH2 P25021 1/20 0.64

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
SCHEMBL3317859 0.87 HTR6 (0.73) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3315471 0.87 HTR6 (0.73) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3715767 0.86 HTR6 (0.72) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3318287 0.86 HDAC1 (0.62) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL14963874 0.86 HTR6 (0.87) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13781435 0.85 HTR6 (0.71) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13534393 0.85 HTR6 (0.67) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3318767 0.85 HTR6 (0.68) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3715259 0.85 HTR6 (1.00) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL4127990 0.85 HTR6 (0.70) HTR6HRH1ADRA2AHTR2AHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 EP disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2244708-A1 NEW 2,3,4,5-TEtRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF Medivation Technologies, Inc. (US) 2010-11-03 EP disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 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 (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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 HTR6 11/4885HRH1 67/4885ADRA2A 187/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 HTR6 11/4885HRH1 72/4885ADRA2A 186/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 HTR6 11/4885HRH1 72/4885ADRA2A 186/4885

“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.