SCHEMBL5885789

SCHEMBL5885789

Cc1cc(C#CCN(C)c2cccc(C#N)c2)ccc1C(=O)N(C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
MAPK14 Q16539 1/20 0.36
FFAR1 O14842 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GRM5 P41594 1/20 0.34
GFER P55789 1/20 0.34
CLK1 P49759 1/20 0.34
NR1H2 P55055 4/20 0.33
ADORA2A P29274 2/20 0.33
MAOB P27338 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
PDK1 Q15118 1/20 0.33
ACACB O00763 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL5885273 0.88 PPARG (0.40) PPARGMAPK14FFAR1EGLN1GRM5
SCHEMBL5888740 0.87 GFER (0.40) PPARGMAPK14FFAR1EGLN1GRM5
SCHEMBL5886056 0.87 MAPK14 (0.38) PPARGMAPK14FFAR1GFER
SCHEMBL5885874 0.85 PPARG (0.36) PPARGMAPK14FFAR1EGLN1GRM5
SCHEMBL5885785 0.84 KMT2A (0.39) PPARGFFAR1EGLN1GFERMAOB
SCHEMBL5885576 0.83 PPARG (0.37) PPARGMAPK14EGLN1GRM5ACACB
SCHEMBL5885741 0.83 PPARG (0.37) PPARGMAPK14FFAR1EGLN1GRM5
Hydrochloric Acid SCHEMBL5885879 0.83 PPARG (0.37) PPARGMAPK14EGLN1GRM5ACACB
SCHEMBL5885868 0.82 PPARG (0.36) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5888737 0.81 GFER (0.46) PPARGFFAR1EGLN1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 PPARG 2510/4885MAPK14 4663/4885FFAR1 2184/4885

“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.