SCHEMBL990626

SCHEMBL990626

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
TAAR1 Q96RJ0 3/20 0.47
BCL2A1 Q16548 1/20 0.42
MAPT P10636 3/20 0.40
CNR1 P21554 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
ALOX12 P18054 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
HTR2A P28223 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CNR2 P34972 1/20 0.38
MAOB P27338 2/20 0.38

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 1.00 AOC3 (0.53) AOC3TAAR1BCL2A1MAPTCNR1
Hydrochloric Acid SCHEMBL9879526 0.98 AOC3 (0.51) AOC3TAAR1BCL2A1MAPTCNR1
SCHEMBL1120558 0.92 AOC3 (0.47) AOC3TAAR1BCL2A1CNR1HTR1A
SCHEMBL989795 0.91 AOC3 (0.62) AOC3TAAR1SIGMAR1CNR2MAOB
SCHEMBL934931 0.91 AOC3 (0.62) AOC3TAAR1LMNAESR1ESR2
SCHEMBL991930 0.83 AOC3 (0.58) AOC3TAAR1CNR1LMNAESR1
SCHEMBL934572 0.82 BCL2A1 (0.51) AOC3TAAR1BCL2A1MAPTCNR1
Hydrochloric Acid SCHEMBL9457770 0.81 BCL2A1 (0.50) AOC3BCL2A1MAPTCNR1THRB
SCHEMBL1120385 0.74 AOC3 (0.55) AOC3HTR1ADRD1DRD3SIGMAR1
SCHEMBL1120437 0.73 DAO (0.40) AOC3CNR1HTR1ADRD1DRD3

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 110/4885BCL2A1 3062/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885BCL2A1 3062/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885BCL2A1 3062/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885BCL2A1 3062/4885

“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.