SCHEMBL169796

SCHEMBL169796

CC[C@@](O)(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.64
HRH1 P35367 14/20 0.64
ADRA2A P08913 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR7 P34969 3/20 0.54
ADRA1A P35348 3/20 0.54
DRD2 P14416 2/20 0.53
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCHE P06276 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL167432 1.00 HTR6 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL167433 1.00 HTR6 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13293529 0.93 HTR6 (0.54) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL12820253 0.92 HTR6 (0.53) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2186391 0.89 HTR6 (0.53) HTR6HRH1HDAC1HDAC6BCHE
SCHEMBL169201 0.88 HRH1 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL168909 0.88 HRH1 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL168908 0.88 HRH1 (0.64) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL2186326 0.88 HTR6 (0.66) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL169594 0.85 HTR6 (0.63) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US claimed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US claimed
EP-2424364-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP claimed
WO-2010127177-A1 PYRIDO [4,3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-11-04 WO claimed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-9255094-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-09 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 US disclosed
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-05-31 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 (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-20130190328-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885ADRA2A 236/4885
US-20120136008-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HTR6 10/4885HRH1 41/4885ADRA2A 236/4885

“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.