SCHEMBL1120436

SCHEMBL1120436

CNCCc1cn(CCC2CCCC2)c2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
SNCA P37840 1/20 0.37
CNR2 P34972 4/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35

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
SCHEMBL1120393 0.86 SNCA (0.35) CNR1CYSLTR2CYSLTR1SNCACNR2
SCHEMBL1120448 0.86 CNR1 (0.43) CNR1CYSLTR2CYSLTR1PDE4APDE4B
SCHEMBL1120694 0.81 CACNB4 (0.47) KCNH2CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL14801905 0.81 CARM1 (0.42) CNR2KCNH2MEN1KMT2A
SCHEMBL14302712 0.77 SNCA (0.53) SNCAKCNH2KMT2ACDK2CAMK2D
SCHEMBL1120695 0.77 KCNH2 (0.48) CNR1SNCAKCNH2CACNB4CACNA1A
SCHEMBL1120388 0.77 ACLY (0.44) SNCAMEN1KMT2AMCL1ADRB2
SCHEMBL1120469 0.76 KCNH2 (0.38) SNCAKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL1120766 0.75 KCNH2 (0.46) SNCAKCNH2CACNB4CACNA1ACACNA1G
SCHEMBL1120723 0.75 SNCA (0.38) PDE4APDE4BPDE4CPDE4DSNCA

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-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
CN-102083830-A Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2011-06-01 CN 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 CNR1 46/4885CYSLTR2 530/4885CYSLTR1 447/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CNR1 46/4885CYSLTR2 530/4885CYSLTR1 447/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CNR1 46/4885CYSLTR2 530/4885CYSLTR1 447/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CNR1 46/4885CYSLTR2 530/4885CYSLTR1 447/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CNR1 46/4885CYSLTR2 557/4885CYSLTR1 457/4885

“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.