SCHEMBL21028306

SCHEMBL21028306

O=C(O)CC1CCc2c(Cc3ccc4ccccc4n3)c3ccccc3n2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.44
PTGDR Q13258 4/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PTGIR P43119 1/20 0.41
TBXA2R P21731 2/20 0.39

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
SCHEMBL21027846 0.76 PTGDR2 (0.55) PTGDR2PTGDRPTGIRTBXA2R
SCHEMBL21028288 0.74 PTGDR2 (0.52) PTGDR2PTGDRTBXA2R
SCHEMBL24141360 0.74 PTGDR2 (0.45) PTGDR2PTGDRTBXA2R
SCHEMBL21028289 0.74 PTGDR2 (0.45) PTGDR2PTGDRTBXA2R
SCHEMBL21028025 0.72 PTGDR2 (0.46) PTGDR2PTGDRTBXA2R
SCHEMBL21028019 0.72 PTGDR2 (0.64) PTGDR2PTGDRTBXA2R
SCHEMBL21028022 0.72 PTGDR2 (0.42) PTGDR2PTGDRTBXA2R
SCHEMBL21028085 0.70 PTGDR2 (0.43) PTGDR2PTGDRTBXA2R
SCHEMBL21028084 0.69 PTGDR2 (0.50) PTGDR2PTGDRTBXA2R
SCHEMBL21027860 0.69 PTGDR2 (0.49) PTGDR2PTGDRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-12-13 US disclosed
US-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-30 US disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP 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-20210403466-A1 TRICYCLIC COMPUND AS CRTH2 INHIBITOR NR3C2, CRHR2, CRHR1 PTGDR2 152/4885PTGDR 412/4885CYSLTR2 283/4885
US-11524958-B2 Tricyclic compound as CRTH2 inhibitor NR1H2, NR3C2, NR1H4 PTGDR2 313/4885PTGDR 550/4885CYSLTR2 372/4885

“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.