SCHEMBL5776069

SCHEMBL5776069

O=C(CC1CCc2cc3cc(F)cc(Br)c3n21)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
IDH1 O75874 7/20 0.33
HDAC1 Q13547 2/20 0.33
PPARA Q07869 2/20 0.33
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGFR P43088 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
PTGIR P43119 1/20 0.31
PTGDR Q13258 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31

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
SCHEMBL5776746 0.76 GRIN2D (0.41) TBXA2RPTGER1PTGER4PTGFRPTGER3
SCHEMBL5776062 0.73 TBXA2R (0.35) NAAAIDH1PPARACSNK2BCSNK2A1
SCHEMBL292405 0.72 NAAA (0.44) NAAAIDH1HDAC1PPARA
SCHEMBL292406 0.72 NAAA (0.44) NAAAIDH1HDAC1PPARA
SCHEMBL15873097 0.72 NAAA (0.44) NAAAIDH1HDAC1PPARA
SCHEMBL2082871 0.71 NAAA (0.47) NAAAIDH1HDAC1PPARA
SCHEMBL2082875 0.71 NAAA (0.47) NAAAIDH1HDAC1PPARA
SCHEMBL32687814 0.71 NAAA (0.41) NAAAIDH1HDAC1PPARACSNK2B
SCHEMBL7331796 0.71 NAAA (0.43) NAAAIDH1PPARA
SCHEMBL19843725 0.71 NAAA (0.48) NAAAIDH1PPARACSNK2BCSNK2A1

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-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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 (1 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR NAAA 1369/4885IDH1 2377/4885HDAC1 3418/4885

“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.