SCHEMBL5408052

SCHEMBL5408052

CCCc1cc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)no1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
TSHR P16473 1/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL5408065 1.00 PTGDR2 (0.63) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5408060 1.00 PTGDR2 (0.63) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5402858 0.93 PTGDR2 (0.66) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5402868 0.93 PTGDR2 (0.66) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5402860 0.93 PTGDR2 (0.66) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5399882 0.89 PTGDR2 (0.62) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5399876 0.89 PTGDR2 (0.62) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5399894 0.89 PTGDR2 (0.62) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5404816 0.86 PTGDR2 (0.69) PTGDR2MEN1KMT2ATSHRCYP3A4
SCHEMBL5404797 0.86 PTGDR2 (0.69) PTGDR2MEN1KMT2ATSHRCYP3A4

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.