SCHEMBL1120599

SCHEMBL1120599

NN(CCCc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
HRH1 P35367 2/20 0.50
CHRNA7 P36544 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTAFR P25105 3/20 0.44
TBXAS1 P24557 7/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL1120385 0.81 AOC3 (0.55) L3MBTL1
SCHEMBL11454463 0.79 CYP2A6 (0.59) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL29485675 0.73 TDP1 (0.80) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL29485677 0.73 CYP2A6 (0.76) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL2843094 0.73 CYP2A6 (0.76) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL724788 0.73 TDP1 (0.80) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL11846860 0.73 CHRNA7 (0.79) CYP2A6HRH1CHRNA7TDP1L3MBTL1
SCHEMBL1120399 0.72 DAO (0.39) L3MBTL1
SCHEMBL1120558 0.72 AOC3 (0.47) HRH1
SCHEMBL8658187 0.71 HRH1 (0.81) CYP2A6HRH1CHRNA7TDP1L3MBTL1

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 CYP2A6 949/4885HRH1 64/4885CHRNA7 60/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2A6 949/4885HRH1 64/4885CHRNA7 60/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2A6 949/4885HRH1 64/4885CHRNA7 60/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C CYP2A6 949/4885HRH1 64/4885CHRNA7 60/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 CYP2A6 787/4885HRH1 62/4885CHRNA7 60/4885

“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.