SCHEMBL3165181

SCHEMBL3165181

O=C(O)CN1CCc2c(C(=O)NCCn3cc(C(c4ccccc4)c4ccccc4)ccc3=O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.42
ALDH1A1 P00352 2/20 0.38
GPR52 Q9Y2T5 3/20 0.36
EPHX2 P34913 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL12678729 0.89 EPHX2 (0.39) PTGDR2ALDH1A1GPR52EPHX2ITGA4
SCHEMBL12678725 0.89 PTGDR2 (0.40) PTGDR2ALDH1A1EPHX2ITGA4ITGB7
SCHEMBL3174396 0.87 PTGDR2 (0.41) PTGDR2GPR52EPHX2DRD2DRD4
SCHEMBL27849999 0.84 PTGDR2 (0.38) PTGDR2GPR52EPHX2DRD2DRD4
SCHEMBL3174779 0.81 PTGDR2 (0.39) PTGDR2EPHX2DRD2DRD4MAPT
SCHEMBL27792895 0.79 PTGDR2 (0.44) PTGDR2ALDH1A1GPR52MAPT
SCHEMBL12678521 0.79 PTGDR2 (0.49) PTGDR2ALDH1A1
SCHEMBL3174487 0.79 PTGDR2 (0.42) PTGDR2ALDH1A1EPHX2MAPT
SCHEMBL3165167 0.77 PTGDR2 (0.44) PTGDR2ALDH1A1EPHX2MAPT
SCHEMBL3166094 0.74 HDAC1 (0.47) PTGDR2ALDH1A1EPHX2DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885ALDH1A1 3727/4885GPR52 36/4885

“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.