SCHEMBL4135039

SCHEMBL4135039

CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.75
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59

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
SCHEMBL4129065 0.93 PTGDR2 (0.74) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4123966 0.90 PTGDR2 (0.79) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4127437 0.89 PTGDR2 (0.71) PTGDR2MEN1KMT2A
SCHEMBL4135202 0.86 PTGDR2 (0.73) PTGDR2MEN1KMT2A
SCHEMBL4119068 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4119071 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL5394167 0.86 PTGDR2 (1.00) PTGDR2MEN1KMT2A
SCHEMBL4135289 0.85 PTGDR2 (0.72) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4124416 0.85 PTGDR2 (0.80) PTGDR2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4124413 0.85 PTGDR2 (0.80) 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 33 patents — showing the first 20. 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
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US claimed
EP-1556356-B1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER LAMBERT CO (US) 2006-05-31 EP claimed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US claimed
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN claimed
EP-1556356-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS Warner-Lambert Company LLC (US) 2005-07-27 EP claimed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP claimed
US-20050038070-A1 Asthma and allergic inflammation modulators AMGEN INC. 2005-02-17 US 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-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2004035543-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CRTH2 ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-04-29 WO claimed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP claimed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO claimed
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-20070197587-A1 Quinoline Derivatives as CRTH2 Antagonists PFIZER INC 2007-08-23 US disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
EP-1413306-A1 Tetrahydroquinoline derivatives as CRTH2 antagonists Warner-Lambert Company LLC (US) 2004-04-28 EP disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO 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 (6 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-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 PTGDR2 1/4885MEN1 4793/4885KMT2A 4382/4885
US-20050038070-A1 Asthma and allergic inflammation modulators TSLP, IL5, LTC4S PTGDR2 217/4885MEN1 4532/4885KMT2A 1624/4885
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
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.