SCHEMBL6919939

SCHEMBL6919939

COc1ccc([C@@](C)(O)Cn2c3c(c4cc(C)ccc42)C2CCC(C3)N2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
HRH1 P35367 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MARK4 Q96L34 1/20 0.34
MCHR1 Q99705 1/20 0.33
SLC6A11 P48066 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
AOC3 Q16853 1/20 0.31
SLC6A1 P30531 1/20 0.31

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
SCHEMBL6919920 1.00 HTR6 (0.37) HTR6HRH1AKR1B1PTGDR2MARK4
SCHEMBL6920874 1.00 HTR6 (0.37) HTR6HRH1AKR1B1PTGDR2MARK4
SCHEMBL15290458 0.93 HTR6 (0.40) HTR6HRH1PTGDR2MCHR1HSD17B10
SCHEMBL6920890 0.90 HTR6 (0.39) HTR6HRH1PTGDR2MCHR1
SCHEMBL17230273 0.89 HTR6 (0.38) HTR6HRH1
SCHEMBL13394715 0.89 HTR6 (0.38) HTR6AKR1B1PTGDR2MEN1KMT2A
SCHEMBL6920114 0.87 HTR6 (0.38) HTR6HRH1PTGDR2MCHR1
SCHEMBL6921259 0.87 HTR6 (0.36) HTR6MCHR1SLC6A1
SCHEMBL6921529 0.86 MAOA (0.39) HTR6HRH1MCHR1
SCHEMBL15290215 0.83 SIGMAR1 (0.44) HTR6MCHR1

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 22/4885HRH1 10/4885AKR1B1 2311/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885HRH1 10/4885AKR1B1 2311/4885

“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.