SCHEMBL2189221

SCHEMBL2189221

O=C(O)Cc1c2c(n3ccccc13)C[C@H](NC(=O)C1(c3ccc(F)cc3)CCCC1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.53
PTGDR Q13258 5/20 0.53
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 2/20 0.46
TBXA2R P21731 4/20 0.41
ABCB11 O95342 1/20 0.38
DRD1 P21728 1/20 0.38
CCKAR P32238 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.37
KCNH2 Q12809 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
OPRD1 P41143 1/20 0.36
CACNA1G O43497 1/20 0.35

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
SCHEMBL2189358 0.82 PTGDR2 (0.65) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188932 0.80 PTGDR2 (0.65) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2187264 0.78 PTGDR2 (0.67) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2189212 0.78 PTGDR2 (0.68) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188601 0.77 PTGDR2 (0.62) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233948 0.77 PTGDR2 (0.65) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3663657 0.77 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL15428827 0.77 PTGDR2 (0.56) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL15428824 0.75 PTGDR2 (0.55) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188224 0.75 PTGDR2 (0.66) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP claimed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US claimed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US claimed
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
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 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.