SCHEMBL4128853

SCHEMBL4128853

CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cc(C)on2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.59
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 1/20 0.52

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
SCHEMBL4128847 1.00 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6278727 1.00 PTGDR2 (0.59) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5404787 0.90 PTGDR2 (0.69) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5404797 0.90 PTGDR2 (0.69) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5404816 0.90 PTGDR2 (0.69) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4132877 0.86 PTGDR2 (0.58) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4132875 0.86 PTGDR2 (0.58) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14502015 0.84 PTGDR2 (0.58) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4123926 0.83 PTGDR2 (0.82) PTGDR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4123911 0.83 PTGDR2 (0.56) PTGDR2LMNASMN1; SMN2MEN1KMT2A

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 8 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO 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 PTGDR2 1/4885LMNA 4545/4885SMN1; SMN2 4770/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885LMNA 4736/4885SMN1; SMN2 4803/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885LMNA 4545/4885SMN1; SMN2 4770/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PTGDR2 1/4885LMNA 4715/4885SMN1; SMN2 4763/4885

“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.