SCHEMBL13640287

SCHEMBL13640287

CCCn1c(C)c(Cc2ccc3ccccc3n2)c2cc(F)ccc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.73
PTGDR Q13258 2/20 0.73
PTGIR P43119 1/20 0.73
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL14658903 0.91 PTGDR2 (0.76) PTGDR2PTGDRPTGIRKDM4EMAPT
SCHEMBL13640290 0.86 PTGDR2 (0.69) PTGDR2PTGDRPTGIRKDM4EMAPT
SCHEMBL27978015 0.84 PTGDR2 (0.72) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL1782956 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29648518 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29379400 0.84 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL12527142 0.84 PTGDR2 (0.66) PTGDR2PTGDRPTGIRKDM4EMAPT
SCHEMBL3260069 0.83 PTGDR2 (0.79) PTGDR2PTGDRPTGIRKDM4EMAPT
SCHEMBL16558834 0.83 PTGDR2 (0.82) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL22167497 0.82 PTGDR2 (0.80) PTGDR2PTGDRPTGIRCYP1A2CYP3A4

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
US-9102658-B2 Process for the preparation of (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-y1)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2015-08-11 US disclosed
US-8980918-B2 Amorphous (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2015-03-17 US disclosed
US-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters OXAGEN LIMITED (GB) 2014-11-27 US disclosed
US-20140255340-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid ATOPIX THERAPEUTICS LIMITED (GB) 2014-09-11 US disclosed
US-8703956-B2 Amorphous (5-fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-acetic acid ATOPIX THERAPEUTICS LIMITED (GB) 2014-04-22 US disclosed
US-20120282223-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid ATOPIX THERAPEUTICS LIMITED (GB) 2012-11-08 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 (3 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-20140255340-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid HRH2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885PTGIR 41/4885
US-20120282223-A1 Amorphous (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid HRH2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885PTGIR 41/4885
US-20140350264-A1 Process for the Preparation of (5-Fluoro-2-methyl-3-quinolin-2-ylmethyl-indol-1-yl)-Acetic Acid Esters ADH1C, ALDH7A1, AKR1C1 PTGDR2 2823/4885PTGDR 2895/4885PTGIR 3392/4885

“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.