SCHEMBL1120437

SCHEMBL1120437

NN(CCc1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
AOC3 Q16853 1/20 0.40
NR3C1 P04150 1/20 0.38
CNR1 P21554 9/20 0.38
CNR2 P34972 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
FABP4 P15090 1/20 0.34
TKT P29401 1/20 0.34
KIT P10721 2/20 0.34
LCK P06239 1/20 0.34
PGR P06401 1/20 0.34
CSF1R P07333 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
PDGFRB P09619 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL1120399 0.93 DAO (0.39) DAOAOC3NR3C1CNR1CNR2
SCHEMBL123261 0.86 DAO (0.40) DAONR3C1CNR1CNR2TRPV4
SCHEMBL1120627 0.83 AOC3 (0.38) AOC3
SCHEMBL121734 0.79 AOC3 (0.46) AOC3NR3C1CNR2
Hydrochloric Acid SCHEMBL3656404 0.78 AOC3 (0.45) AOC3NR3C1CNR2CYP2C19
SCHEMBL989795 0.77 AOC3 (0.62) AOC3CNR2SLC6A4KCNH2
SCHEMBL1120383 0.76 AOC3 (0.45) AOC3CNR2
SCHEMBL990626 0.73 AOC3 (0.53) AOC3CNR1CNR2HTR1ADRD1
SCHEMBL989860 0.73 AOC3 (0.53) AOC3CNR1CNR2HTR1ADRD1
SCHEMBL27811353 0.72 DAO (0.41) DAONR3C1CNR1CNR2TRPV4

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 13 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
CN-104387382-A PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC 2015-03-04 CN disclosed
CN-102083830-B Pyrido [3,4-b ] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2014-11-12 CN 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 DAO 219/4885AOC3 375/4885NR3C1 1630/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C DAO 219/4885AOC3 375/4885NR3C1 1630/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C DAO 219/4885AOC3 375/4885NR3C1 1630/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C DAO 219/4885AOC3 375/4885NR3C1 1630/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 DAO 211/4885AOC3 392/4885NR3C1 1602/4885

“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.