SCHEMBL1120558

SCHEMBL1120558

NN(CCCc1ccc(F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
DRD2 P14416 5/20 0.43
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
DRD1 P21728 2/20 0.43
DRD5 P21918 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TAAR1 Q96RJ0 3/20 0.42
BCL2A1 Q16548 1/20 0.41
KCNH2 Q12809 4/20 0.40
HRH1 P35367 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR2C P28335 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL989860 0.92 AOC3 (0.53) AOC3DRD2HTR1AHTR2ADRD3
SCHEMBL990626 0.92 AOC3 (0.53) AOC3DRD2HTR1AHTR2ADRD3
Hydrochloric Acid SCHEMBL9879526 0.90 AOC3 (0.51) AOC3DRD2HTR1AHTR2ADRD3
SCHEMBL1120385 0.83 AOC3 (0.55) AOC3HTR1ADRD3DRD1SIGMAR1
SCHEMBL934931 0.82 AOC3 (0.62) AOC3SIGMAR1TAAR1KCNH2
SCHEMBL989795 0.82 AOC3 (0.62) AOC3SIGMAR1TAAR1KCNH2SLC6A4
SCHEMBL934572 0.81 BCL2A1 (0.51) AOC3TAAR1BCL2A1KCNH2CNR1
SCHEMBL10501653 0.80 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL2303570 0.80 DRD2 (0.54) DRD2HTR1AHTR2ADRD3DRD1
Hydrochloric Acid SCHEMBL9457770 0.79 BCL2A1 (0.50) AOC3BCL2A1KCNH2CNR1

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 AOC3 375/4885DRD2 39/4885HTR1A 9/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AOC3 375/4885DRD2 39/4885HTR1A 9/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AOC3 375/4885DRD2 39/4885HTR1A 9/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C AOC3 375/4885DRD2 39/4885HTR1A 9/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 AOC3 392/4885DRD2 38/4885HTR1A 9/4885

“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.