SCHEMBL2187311

SCHEMBL2187311

CCCC(C(=O)O)c1c2c(n3c(F)cccc13)C[C@H](NC)CC2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.32
DRD3 P35462 4/20 0.32
TBXA2R P21731 3/20 0.32
PTGDR Q13258 3/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
DRD4 P21917 2/20 0.32
HTR6 P50406 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1B P28222 1/20 0.32
HTR1E P28566 1/20 0.32
HTR7 P34969 1/20 0.32
OPRM1 P35372 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD1 P21728 1/20 0.31
CCKAR P32238 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
SCHEMBL2188346 0.83 CYP2C9 (0.36) DRD2PTGDRPTGDR2DRD4HTR1A
SCHEMBL15006654 0.79 DRD2 (0.31) DRD2DRD3TBXA2RPTGDRPTGDR2
SCHEMBL15428829 0.79 PTGDR2 (0.42) DRD2DRD3TBXA2RPTGDRPTGDR2
SCHEMBL252924 0.79 CMA1 (0.32)
SCHEMBL12002747 0.76 PSIP1 (0.31) DRD2DRD3DRD4
SCHEMBL2189400 0.74 RB1 (0.36) DRD2DRD3PTGDRPTGDR2DRD4
SCHEMBL15436289 0.73
SCHEMBL15436285 0.73 PSIP1 (0.31)
SCHEMBL2188342 0.71 PTGDR2 (0.41) TBXA2RPTGDRPTGDR2
SCHEMBL2187304 0.71 PTGDR2 (0.40) DRD2DRD3TBXA2RPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR DRD2 93/4885DRD3 254/4885TBXA2R 28/4885

“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.