SCHEMBL989795

SCHEMBL989795

NN(CCc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.62
TAAR1 Q96RJ0 2/20 0.50
MAOB P27338 2/20 0.44
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CNR2 P34972 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGIR P43119 1/20 0.40
IDO1 P14902 4/20 0.39
SLC6A4 P31645 1/20 0.39
AGXT P21549 1/20 0.39
KCNH2 Q12809 3/20 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
SCHEMBL990626 0.91 AOC3 (0.53) AOC3TAAR1MAOBCNR2SIGMAR1
SCHEMBL989860 0.91 AOC3 (0.53) AOC3TAAR1MAOBCNR2SIGMAR1
Hydrochloric Acid SCHEMBL9879526 0.89 AOC3 (0.51) AOC3TAAR1MAOBCNR2SIGMAR1
SCHEMBL1120558 0.82 AOC3 (0.47) AOC3TAAR1SIGMAR1SLC6A4KCNH2
SCHEMBL1120385 0.81 AOC3 (0.55) AOC3SIGMAR1PTGIRSLC6A4KCNH2
SCHEMBL121734 0.81 AOC3 (0.46) AOC3TAAR1CNR2
SCHEMBL1120383 0.79 AOC3 (0.45) AOC3TAAR1CNR2PTGIR
Hydrochloric Acid SCHEMBL3656404 0.79 AOC3 (0.45) AOC3CNR2
SCHEMBL934931 0.79 AOC3 (0.62) AOC3TAAR1MAOBSIGMAR1IDO1
SCHEMBL9737481 0.78 AOC3 (0.45) AOC3TAAR1MAOBCNR2IDO1

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
EP-2274307-B1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2015-07-29 EP disclosed
US-9051314-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-06-09 US disclosed
US-9034869-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
CN-102046625-B Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES INC 2015-04-08 CN disclosed
US-8999977-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-01-23 US disclosed
US-8546381-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2013-10-01 US disclosed
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
CN-102046625-A Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES INC 2011-05-04 CN disclosed
EP-2274307-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-01-19 EP disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 US disclosed
WO-2009120720-A1 BRIDGED HETEROCYCLIC COMPOUNDS 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 (4 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-20140024643-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885MAOB 33/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885MAOB 33/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885MAOB 33/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885MAOB 33/4885

“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.