SCHEMBL6921165

SCHEMBL6921165

Cc1ccc(C(CC(=O)O)Cn2c3c(c4cc(Cl)ccc42)C2CCC(C3)N2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.38
HTR6 P50406 4/20 0.37
KEAP1 Q14145 3/20 0.34
MCHR1 Q99705 2/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6921457 0.92 HTR6 (0.35) PTGDR2HTR6MCHR1SIGMAR1
SCHEMBL15087611 0.91 BAZ2B (0.35) PTGDR2HTR6
SCHEMBL13834659 0.91 HTR6 (0.39) PTGDR2HTR6KEAP1SIGMAR1
SCHEMBL6920786 0.90 HTR6 (0.33) PTGDR2HTR6MCHR1
SCHEMBL6921310 0.90 HTR6 (0.41) PTGDR2HTR6KEAP1MCHR1
SCHEMBL13394713 0.87 HTR6 (0.36) PTGDR2HTR6MCHR1SIGMAR1
SCHEMBL6921076 0.85 FNTA (0.41) PTGDR2HTR6MCHR1
SCHEMBL6920559 0.84 HTR6 (0.37) PTGDR2HTR6MCHR1
SCHEMBL14729246 0.83 HTR6 (0.36) PTGDR2HTR6SIGMAR1
SCHEMBL13834547 0.82 HTR6 (0.37) PTGDR2HTR6MCHR1SIGMAR1

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 PTGDR2 114/4885HTR6 22/4885KEAP1 1236/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C PTGDR2 114/4885HTR6 22/4885KEAP1 1236/4885

“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.