SCHEMBL4123812

SCHEMBL4123812

CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.71
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
LMNA P02545 4/20 0.60
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
POLB P06746 2/20 0.60
GPR55 Q9Y2T6 2/20 0.60
TSHR P16473 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL4123523 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123528 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL5495963 1.00 PTGDR2 (0.71) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL13776132 0.86 PTGDR2 (0.64) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL5507535 0.85 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123791 0.85 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4123790 0.85 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4128783 0.85 PTGDR2 (0.85) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL13776158 0.84 PTGDR2 (0.61) PTGDR2MEN1KMT2ALMNAHTT
SCHEMBL4122194 0.84 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNAHTT

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 PTGDR2 1/4885MEN1 4611/4885KMT2A 4216/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4793/4885KMT2A 4382/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4611/4885KMT2A 4216/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 PTGDR2 1/4885MEN1 4739/4885KMT2A 4627/4885

“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.