SCHEMBL6920890

SCHEMBL6920890

Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(O)cc2)CC2CCC1N2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.39
MCHR1 Q99705 2/20 0.33
SIGMAR1 Q99720 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
PER2 O15055 1/20 0.31
HRH1 P35367 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL15290458 0.95 HTR6 (0.40) HTR6MCHR1SIGMAR1PTGDR2RORA
SCHEMBL17230273 0.91 HTR6 (0.38) HTR6PER2HRH1
SCHEMBL13394715 0.91 HTR6 (0.38) HTR6SIGMAR1PTGDR2
SCHEMBL6919939 0.90 HTR6 (0.37) HTR6MCHR1PTGDR2HRH1
SCHEMBL6920874 0.90 HTR6 (0.37) HTR6MCHR1PTGDR2HRH1
SCHEMBL6919920 0.90 HTR6 (0.37) HTR6MCHR1PTGDR2HRH1
SCHEMBL6920114 0.90 HTR6 (0.38) HTR6MCHR1SIGMAR1PTGDR2PER2
SCHEMBL15290216 0.85 SIGMAR1 (0.44) HTR6MCHR1SIGMAR1PER2
SCHEMBL15290215 0.85 SIGMAR1 (0.44) HTR6MCHR1SIGMAR1PER2
SCHEMBL17230270 0.84 HTR6 (0.38) HTR6MCHR1SIGMAR1PTGDR2HRH1

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 7 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-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
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 HTR6 22/4885MCHR1 142/4885SIGMAR1 275/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885MCHR1 142/4885SIGMAR1 275/4885

“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.