SCHEMBL1120694

SCHEMBL1120694

CNCCc1cn(CCN2CCCCC2)c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 5/20 0.47
CACNA1A O00555 5/20 0.47
CACNA1G O43497 5/20 0.47
CACNG3 O60359 5/20 0.47
CACNA1F O60840 5/20 0.47
CACNA1H O95180 5/20 0.47
CACNB3 P54284 5/20 0.47
CACNA2D1 P54289 5/20 0.47
CACNG7 P62955 5/20 0.47
CACNA1B Q00975 5/20 0.47
CACNA1D Q01668 5/20 0.47
CACNB1 Q02641 5/20 0.47
CACNG1 Q06432 5/20 0.47
CACNB2 Q08289 5/20 0.47
CACNA1S Q13698 5/20 0.47
CACNA1C Q13936 5/20 0.47
CACNA1E Q15878 5/20 0.47
CACNA2D4 Q7Z3S7 5/20 0.47
CACNA2D3 Q8IZS8 5/20 0.47
CACNG8 Q8WXS5 5/20 0.47

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
SCHEMBL14801905 0.88 CARM1 (0.42) LMNAKCNH2SIGMAR1
SCHEMBL1120436 0.81 CNR1 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120592 0.80 VEGFA (0.42) LMNAHTT
SCHEMBL27811435 0.80 CNR2 (0.36)
Tert-Butyl Formate SCHEMBL27811436 0.80 CNR2 (0.35)
SCHEMBL14302712 0.77 SNCA (0.53) KCNH2
SCHEMBL1120695 0.77 KCNH2 (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120388 0.77 ACLY (0.44) ATMSIGMAR1
SCHEMBL1120469 0.76 KCNH2 (0.38) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL1120766 0.75 KCNH2 (0.46) 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 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 CACNB4 496/4885CACNA1A 966/4885CACNA1G 1582/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNB4 496/4885CACNA1A 966/4885CACNA1G 1582/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNB4 496/4885CACNA1A 966/4885CACNA1G 1582/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CACNB4 496/4885CACNA1A 966/4885CACNA1G 1582/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CACNB4 508/4885CACNA1A 964/4885CACNA1G 1540/4885

“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.