SCHEMBL1890613

SCHEMBL1890613

CCCc1nc2cc(N(Cc3ccc(F)cc3)C(C)=O)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
GNRHR P30968 1/20 0.40
TBXA2R P21731 5/20 0.38
HDAC1 Q13547 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ALOX5AP P20292 3/20 0.37
CNR2 P34972 1/20 0.36
PPARG P37231 5/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL1891790 0.91 PPARG (0.40) AGTR1AGTR2PPARG
SCHEMBL1888860 0.90 AGTR1 (0.39) AGTR1AGTR2GNRHRTBXA2RHDAC1
SCHEMBL1892586 0.89 NR1H4 (0.38) AGTR1AGTR2GNRHRTBXA2RHDAC1
SCHEMBL1883605 0.89 GNRHR (0.42) AGTR1AGTR2GNRHRTBXA2RALOX5AP
SCHEMBL1886412 0.88 GNRHR (0.42) AGTR1AGTR2GNRHRALOX5APPPARG
SCHEMBL1885728 0.87 AGTR1 (0.46) AGTR1AGTR2GNRHRTBXA2RPPARG
SCHEMBL1891435 0.87 GNRHR (0.42) AGTR1AGTR2GNRHRTBXA2RHDAC1
SCHEMBL1884995 0.86 GNRHR (0.45) AGTR1AGTR2GNRHRTBXA2RCNR2
SCHEMBL1889270 0.84 KCNA5 (0.46) AGTR1AGTR2GNRHRALOX5APCNR2
SCHEMBL1889669 0.83 F2 (0.39) AGTR1AGTR2GNRHRALOX5APPPARG

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 AGTR1 124/4885AGTR2 48/4885GNRHR 742/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 AGTR1 124/4885AGTR2 48/4885GNRHR 742/4885

“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.