Sugi Predict

Sugi Predict / Compounds / SCHEMBL3316706

SCHEMBL3316706

SCHEMBL3316706

Cc1ccc2c(c1)c1c(n2CCC(=O)NCc2ccccc2)CCN(C)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 12/20 0.68
▸ HTR6 P50406 12/20 0.68
▸ ADRA2A P08913 4/20 0.68
▸ ADRA1A P35348 4/20 0.68
▸ HTR2A P28223 3/20 0.68
▸ HTR2C P28335 3/20 0.68
▸ HTR7 P34969 3/20 0.68
▸ DRD2 P14416 2/20 0.68
▸ GRIN1 Q05586 2/20 0.58
▸ GRIN2A Q12879 2/20 0.58
▸ GRIN2B Q13224 2/20 0.58
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58
▸ HDAC6 Q9UBN7 3/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ BCHE P06276 2/20 0.54
▸ DRD3 P35462 2/20 0.52
▸ ADRA2B P18089 1/20 0.52

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
SCHEMBL3317591 0.91 HRH1 (0.66) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL3318386 0.87 HRH1 (0.61) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL13534114 0.86 HTR6 (0.64) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL3318871 0.85 HRH1 (0.64) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL12877609 0.84 GRIN2D (0.63) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL12877300 0.84 HRH1 (0.62) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL3318767 0.83 HTR6 (0.68) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL13534115 0.82 HRH1 (0.60) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL13534242 0.82 HRH1 (0.60) HRH1HTR6ADRA2AADRA1AHTR2A
SCHEMBL17029118 0.82 HTR6 (0.63) HRH1HTR6ADRA2AADRA1AHTR2A

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 16 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
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
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-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-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
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
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
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
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
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 HRH1 67/4885HTR6 11/4885ADRA2A 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 HRH1 72/4885HTR6 11/4885ADRA2A 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 HRH1 72/4885HTR6 11/4885ADRA2A 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.