SCHEMBL5779065

SCHEMBL5779065

COc1cc(Br)c2c(c1)cc1n2C(C(C)C(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
PTGS1 P23219 2/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
POLB P06746 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MCHR1 Q99705 2/20 0.31
KDM2B Q8NHM5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5835473 0.86 TBXA2R (0.31)
SCHEMBL5835091 0.84 PTGS2 (0.31) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL6730215 0.84 PTGS2 (0.31) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL5797215 0.82 TBXA2R (0.36) AKR1C3AKR1C2
SCHEMBL5775631 0.78 GRIN2D (0.39) AKR1C3AKR1C2PTGS1MAOAMAOB
SCHEMBL5835946 0.75 ABL1 (0.32) KDM4E
SCHEMBL5836339 0.74 TBXA2R (0.31)
SCHEMBL5835923 0.74 TBXA2R (0.31)
SCHEMBL5835600 0.72 GLRA1 (0.40) KDM4E
SCHEMBL5772760 0.71 PTGDR (0.39)

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 PTGS2 7/4885AKR1C3 357/4885AKR1C2 385/4885

“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.