SCHEMBL1886412

SCHEMBL1886412

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.42
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
F2 P00734 2/20 0.39
MAPK14 Q16539 4/20 0.38
ALOX5AP P20292 1/20 0.38
PPARG P37231 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ITK Q08881 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL1883605 0.97 GNRHR (0.42) GNRHRAGTR1AGTR2MAPK14ALOX5AP
SCHEMBL1889669 0.92 F2 (0.39) GNRHRAGTR1AGTR2PTGDR2F2
SCHEMBL1889006 0.92 F2 (0.42) AGTR1AGTR2F2
SCHEMBL1883736 0.92 ITK (0.45) AGTR1AGTR2ALOX5APPPARGLMNA
SCHEMBL1887851 0.89 PTGDR2 (0.47) GNRHRAGTR1AGTR2PTGDR2F2
SCHEMBL1883796 0.89 RAB9A (0.38) GNRHRAGTR1AGTR2PPARGKDM4E
SCHEMBL1884669 0.89 RAB9A (0.46) GNRHRPPARGKDM4ELMNA
SCHEMBL1890613 0.88 AGTR1 (0.41) GNRHRAGTR1AGTR2MAPK14ALOX5AP
SCHEMBL1891790 0.88 PPARG (0.40) AGTR1AGTR2PPARGKDM4ELMNA
SCHEMBL1884538 0.88 ITK (0.40) AGTR1AGTR2ALOX5APPPARGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 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 (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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 GNRHR 742/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885AGTR1 124/4885AGTR2 48/4885

“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.