SCHEMBL3220734

SCHEMBL3220734

O=C(O)Cc1c2c(n3c(F)cccc13)C[C@H](n1nncc1-c1ccc(F)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.39
PTGDR Q13258 8/20 0.39
CYP2C9 P11712 3/20 0.39
TBXA2R P21731 5/20 0.33
PTGIR P43119 1/20 0.32
CYP3A4 P08684 2/20 0.32
DRD2 P14416 1/20 0.32
GABRA1 P14867 1/20 0.32
ADRA1D P25100 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AGTR2 P50052 1/20 0.32
CNR1 P21554 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
SCHEMBL3089892 0.86 PTGDR2 (0.38) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL204984 0.86 PTGDR2 (0.38) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3088635 0.86 PTGDR2 (0.54) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3091564 0.86 PTGDR2 (0.39) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4
SCHEMBL3085509 0.83 AGTR2 (0.39) PTGDR2PTGDRCYP2C9AGTR2
SCHEMBL3090539 0.82 PTGDR2 (0.38) PTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL3084890 0.81 PTGDR2 (0.36) PTGDR2PTGDRCYP2C9
SCHEMBL3099698 0.80 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9TBXA2RAGTR2
SCHEMBL3084609 0.79 PTGDR2 (0.37) PTGDR2PTGDRCYP2C9AGTR2
SCHEMBL3083460 0.78 PTGDR2 (0.39) PTGDR2PTGDRCYP2C9TBXA2RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 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-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885CYP2C9 1320/4885

“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.