SCHEMBL5851402

SCHEMBL5851402

Cc1cc2c(OSC(F)(F)F)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
TRPV3 Q8NET8 1/20 0.35
MAP2K4 P45985 1/20 0.35
NR1H3 Q13133 4/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 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
SCHEMBL16249232 0.84 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL6372185 0.81 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7475769 0.79 NR1H2 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL13291563 0.79 NR1H2 (0.38) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16632328 0.79 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16249235 0.77 NR1H2 (0.42) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL13291543 0.75 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL16632578 0.73 TRPV3 (0.47) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL5851258 0.73 PTGDR (0.56) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29540425 0.73 NR1H2 (0.39) NR1H2CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153852-B2 Indole compounds, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-12-26 US disclosed
US-7098234-B2 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICAL CO., LTD. 2004-09-16 US disclosed
EP-1424325-A1 INDOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
US-6743793-B2 DP RECEPTOR ANTAGONIST; PROSTAGLANDIN D ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-01 US disclosed
US-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2003-09-18 US disclosed
EP-1262475-A1 INDOLE DERIVATIVES, PROCESS FOR PREPARATION OF THE SAME AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP 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 (3 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-20030176400-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH NR1H2 260/4885CHRM2 73/4885CHRM4 304/4885
US-20050004096-A1 Indole derivatives, process for producing the same and drugs containing the same as the active ingredient IDO1, IDO2, PTGIR NR1H2 250/4885CHRM2 196/4885CHRM4 546/4885
US-20040180885-A1 Indole derivatives, process for preparation of the same and use thereof IDO1, KIT, ITCH NR1H2 260/4885CHRM2 73/4885CHRM4 304/4885

“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.