SCHEMBL4127938

SCHEMBL4127938

C[C@H]1C[C@@H](N)c2ccccc2N1C(=O)c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PTGDR2 Q9Y5Y4 7/20 0.54

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
SCHEMBL5501247 1.00 MEN1 (0.58) MEN1KMT2APTGDR2
SCHEMBL4127941 1.00 MEN1 (0.58) MEN1KMT2APTGDR2
SCHEMBL4116661 0.85 PTGDR2 (0.65) MEN1KMT2APTGDR2
SCHEMBL4123897 0.85 PTGDR2 (0.58) MEN1KMT2APTGDR2
SCHEMBL5315752 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5376563 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6070868 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL6071132 0.85 MEN1 (0.56) MEN1KMT2APTGDR2
SCHEMBL5497430 0.85 PTGDR2 (0.65) MEN1KMT2APTGDR2
SCHEMBL6070865 0.85 MEN1 (0.56) MEN1KMT2APTGDR2

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MEN1 4611/4885KMT2A 4216/4885PTGDR2 1/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 MEN1 4793/4885KMT2A 4382/4885PTGDR2 1/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 MEN1 4611/4885KMT2A 4216/4885PTGDR2 1/4885

“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.