SCHEMBL1120722

SCHEMBL1120722

Cc1ccc2c(c1)c1c(n2CCC(=O)O)CN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.56
HTR6 P50406 9/20 0.56
ADRA2A P08913 3/20 0.56
HTR2A P28223 3/20 0.56
HTR2C P28335 3/20 0.56
HTR7 P34969 3/20 0.56
ADRA1A P35348 3/20 0.56
DRD2 P14416 2/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BAZ2B Q9UIF8 1/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2D O15399 1/20 0.49

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
SCHEMBL3318767 0.91 HTR6 (0.68) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL1120515 0.89 PTGDR2 (0.60) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL1120682 0.86 HRH1 (0.51) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13654444 0.86 HTR6 (0.55) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL4306550 0.85 HRH1 (0.50) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL12820001 0.82 PTGDR2 (0.58) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13654430 0.81 HRH1 (0.50) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL1120674 0.81 HSD17B10 (0.71) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL13534393 0.81 HTR6 (0.67) HRH1HTR6ADRA2AHTR2AHTR2C
SCHEMBL1120474 0.81 HSD17B10 (0.57) HRH1HTR6ADRA2AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HRH1 64/4885HTR6 10/4885ADRA2A 284/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HRH1 64/4885HTR6 10/4885ADRA2A 284/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HRH1 64/4885HTR6 10/4885ADRA2A 284/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HRH1 64/4885HTR6 10/4885ADRA2A 284/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 HRH1 62/4885HTR6 10/4885ADRA2A 280/4885

“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.