SCHEMBL5885874

SCHEMBL5885874

C#CCN(C)C(=O)c1ccc(C#CCN(C)c2cccc(C#N)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
MAPK14 Q16539 1/20 0.35
FFAR1 O14842 2/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GFER P55789 1/20 0.33
OXTR P30559 1/20 0.32
PDK1 Q15118 1/20 0.32
CLK1 P49759 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
GRM5 P41594 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNN4 O15554 1/20 0.31
KCNA5 P22460 1/20 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
SCHEMBL5888740 0.90 GFER (0.40) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5885741 0.87 PPARG (0.37) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5886056 0.86 MAPK14 (0.38) PPARGMAPK14FFAR1GFERHCRTR1
SCHEMBL5885789 0.85 PPARG (0.39) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5885757 0.84 PLAU (0.35) PPARGMAPK14EGLN1
Hydrochloric Acid SCHEMBL5885795 0.83 PLAU (0.35) PPARGMAPK14EGLN1
SCHEMBL5885273 0.83 PPARG (0.40) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5885868 0.81 PPARG (0.36) PPARGMAPK14FFAR1EGLN1GFER
SCHEMBL5888737 0.80 GFER (0.46) PPARGFFAR1EGLN1GFERKCNN4
SCHEMBL5885785 0.80 KMT2A (0.39) PPARGFFAR1EGLN1GFERKMT2A

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 4 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
EP-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP disclosed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO 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.