SCHEMBL5397352

SCHEMBL5397352

COc1cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)cc(OC)n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62
TSHR P16473 1/20 0.60

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
SCHEMBL5397371 1.00 PTGDR2 (0.76) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5397346 1.00 PTGDR2 (0.76) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6287166 0.89 PTGDR2 (0.61) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6287156 0.89 PTGDR2 (0.61) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6287154 0.89 PTGDR2 (0.61) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL5394167 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4119068 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4119071 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4115569 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4129310 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US claimed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP claimed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US claimed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP claimed
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-7220760-B2 Quinoline derivatives as CRTH2 antagonists PFIZER INC. (US) 2007-05-22 US disclosed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP disclosed
US-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis WARNER-LAMBERT COMPANY LLC 2004-07-08 US disclosed
EP-1435356-A1 Quinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-07-07 EP 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 (2 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-20040132772-A1 1-carbonyl-4-carbonylaminotetrahydroquinoline derivatives; especially treating asthma and allergic rhinitis HRH1, HRH2, HRH4 PTGDR2 748/4885MEN1 2397/4885KMT2A 906/4885
US-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists HRH2, HRH1, HRH3 PTGDR2 120/4885MEN1 2435/4885KMT2A 2049/4885

“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.