SCHEMBL5777846

SCHEMBL5777846

CCOC(=O)CC1CCCn2c1cc1c(OC)cc(S(C)(=O)=O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.40
GABRG2 P18507 3/20 0.40
GABRB3 P28472 3/20 0.40
GABRA3 P34903 3/20 0.40
GABRA2 P47869 3/20 0.40
GABRB2 P47870 3/20 0.40
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
S1PR1 P21453 1/20 0.37
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2016666 0.73 S1PR1 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5776811 0.72 MAPT (0.35) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL5776814 0.72 MAPT (0.35) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL5777848 0.71 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTPOLBMEN1
SCHEMBL2017262 0.71 S1PR1 (0.53) ALDH1A1S1PR1MAPK1GAA
SCHEMBL2018070 0.68 GAA (0.37) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5778339 0.66 GPBAR1 (0.34) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL2021315 0.64 S1PR1 (0.84) S1PR1
SCHEMBL12320236 0.64 S1PR1 (0.46) ALDH1A1S1PR1MAPK1GAA
SCHEMBL27710004 0.64 PTGDR (0.43) GABRA1GABRG2GABRB3GABRA3GABRA2

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 GABRA1 1541/4885GABRG2 3045/4885GABRB3 2439/4885

“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.