SCHEMBL14729151

SCHEMBL14729151

Cc1ccc(C(C)(O)Cn2c3c(c4cc(C)ccc42)C2CCC(C3)N2C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORA P35398 2/20 0.34
RORC P51449 2/20 0.34
RORB Q92753 2/20 0.34
HRH1 P35367 1/20 0.32
HTR6 P50406 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
PER2 O15055 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL6921166 0.90 GRIN2B (0.33) RORARORCRORBHRH1HTR6
SCHEMBL15290458 0.87 HTR6 (0.40) RORARORCRORBHRH1HTR6
SCHEMBL17230273 0.84 HTR6 (0.38) HRH1HTR6PER2
SCHEMBL6920890 0.83 HTR6 (0.39) RORARORCRORBHRH1HTR6
SCHEMBL6921700 0.82 HTR6 (0.41) HRH1HTR6PER2SIGMAR1
SCHEMBL13394715 0.82 HTR6 (0.38) HTR6PTGDR2SIGMAR1
SCHEMBL6920556 0.81 SIGMAR1 (0.33) HRH1HTR6PTGDR2SIGMAR1
SCHEMBL6920874 0.80 HTR6 (0.37) HRH1HTR6HSD17B10PTGDR2
SCHEMBL6919939 0.80 HTR6 (0.37) HRH1HTR6HSD17B10PTGDR2
SCHEMBL6919920 0.80 HTR6 (0.37) HRH1HTR6HSD17B10PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US 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 (1 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 RORA 936/4885RORC 875/4885RORB 340/4885

“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.