SCHEMBL4124532

SCHEMBL4124532

CCC(=O)N(c1ccccc1)C1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.53
PTGDR2 Q9Y5Y4 15/20 0.44
ABCB1 P08183 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4116026 0.82 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4116024 0.82 PTGDR2 (0.67) PTGDR2MEN1KMT2A
SCHEMBL4124530 0.80 PTGDR2 (0.55) P2RY1PTGDR2MEN1KMT2A
SCHEMBL6967683 0.76 P2RY1 (0.56) P2RY1ABCB1ALDH1A1
SCHEMBL4123966 0.73 PTGDR2 (0.79) PTGDR2MEN1KMT2A
SCHEMBL4128548 0.73 PTGDR2 (0.76) PTGDR2MEN1KMT2A
SCHEMBL4124396 0.70 PTGDR2 (0.52) PTGDR2MEN1KMT2A
SCHEMBL4124398 0.70 PTGDR2 (0.52) PTGDR2MEN1KMT2A
SCHEMBL4123926 0.70 PTGDR2 (0.82) PTGDR2MEN1KMT2A
SCHEMBL4129447 0.69 PTGDR2 (0.76) PTGDR2MEN1KMT2A

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-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 P2RY1 387/4885PTGDR2 1/4885ABCB1 2029/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 P2RY1 245/4885PTGDR2 1/4885ABCB1 1959/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 P2RY1 387/4885PTGDR2 1/4885ABCB1 2029/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 P2RY1 357/4885PTGDR2 1/4885ABCB1 2415/4885

“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.