SCHEMBL991930

SCHEMBL991930

Cc1ccc(N(N)CCc2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.58
TAAR1 Q96RJ0 4/20 0.52
ACHE P22303 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
SIGMAR1 Q99720 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KCNH2 Q12809 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL934931 0.91 AOC3 (0.62) AOC3TAAR1SIGMAR1ESR1ESR2
SCHEMBL990626 0.83 AOC3 (0.53) AOC3TAAR1CNR1CNR2SIGMAR1
SCHEMBL989860 0.83 AOC3 (0.53) AOC3TAAR1CNR1CNR2SIGMAR1
SCHEMBL989858 0.82 AOC3 (0.55) AOC3TAAR1CYP1A2CYP2A6CNR2
SCHEMBL6488095 0.82 AOC3 (0.50) AOC3TAAR1CYP1A2CYP2A6CNR2
Hydrochloric Acid SCHEMBL9879526 0.81 AOC3 (0.51) AOC3TAAR1CYP1A2CNR1CNR2
SCHEMBL13808352 0.77 ACHE (0.68) AOC3TAAR1ACHECYP1A2CYP2A6
SCHEMBL121248 0.76 TSHR (0.39) TAAR1ACHECYP1A2CYP2A6SIGMAR1
SCHEMBL1120558 0.75 AOC3 (0.47) AOC3TAAR1CNR1SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL119950 0.74 TSHR (0.38) TAAR1ACHECYP1A2CYP2A6SIGMAR1

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 11 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
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
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 110/4885ACHE 194/4885
US-20130184269-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885ACHE 194/4885
US-20130190303-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885ACHE 194/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C AOC3 341/4885TAAR1 110/4885ACHE 194/4885

“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.