SCHEMBL1120530

SCHEMBL1120530

CNCCc1cn(CCCc2ccc(C)nc2)c2ccc(C)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL1120470 0.94 HTR6 (0.46) BCHEADRA2ADRD2ADRA2BADRA2C
SCHEMBL17943468 0.88 BCHE (0.44) BCHEADRA2ADRD2ADRA2BADRA2C
SCHEMBL1120643 0.81 CYP2C19 (0.39) BCHEADRA2ADRD2ADRA2BADRA2C
SCHEMBL17943527 0.77 KCNH2 (0.43) HTR6GSK3AGSK3BCACNB4CACNA1A
SCHEMBL1120440 0.76 ADRB2 (0.38) ADRA2AADRA1ADRD3KDR
SCHEMBL1120759 0.75 ICMT (0.40) GSK3AGSK3BHDAC8TBXAS1ICMT
SCHEMBL1120766 0.72 KCNH2 (0.46) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120723 0.72 SNCA (0.38) HTR6CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL1120388 0.71 ACLY (0.44) HTR6SIGMAR1HDAC3HDAC6HDAC4
SCHEMBL1120448 0.71 CNR1 (0.43) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
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 (7 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 BCHE 222/4885ADRA2A 284/4885DRD2 39/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C BCHE 222/4885ADRA2A 284/4885DRD2 39/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C BCHE 222/4885ADRA2A 284/4885DRD2 39/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C BCHE 222/4885ADRA2A 284/4885DRD2 39/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 BCHE 200/4885ADRA2A 280/4885DRD2 38/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 BCHE 4654/4885ADRA2A 3019/4885DRD2 3920/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 BCHE 4654/4885ADRA2A 3019/4885DRD2 3920/4885

“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.