SCHEMBL6920850

SCHEMBL6920850

Cc1ccc2c(c1)c1c(n2CCc2ccc(C(F)(F)F)nc2)CC2CCC1N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.51
HTR6 P50406 17/20 0.47
BCHE P06276 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ACHE P22303 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL935462 0.88 HTR6 (0.55) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL2813836 0.88 HTR6 (0.55) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL2812402 0.88 HTR6 (0.55) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL16638515 0.88 HTR6 (0.44) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL2814214 0.83 HTR6 (0.53) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL2817371 0.83 HTR6 (0.53) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL13394740 0.81 HTR6 (0.43) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL12243902 0.78 HRH1 (0.47) MCHR1HTR6BCHEADRA2ADRD2
SCHEMBL2809444 0.77 HTR6 (0.49) MCHR1HTR6ADRA2ADRD2HTR2A
SCHEMBL2811350 0.77 HTR6 (0.49) MCHR1HTR6ADRA2ADRD2HTR2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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 (2 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C MCHR1 142/4885HTR6 22/4885BCHE 124/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C MCHR1 142/4885HTR6 22/4885BCHE 124/4885

“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.