SCHEMBL5885273

SCHEMBL5885273

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
FFAR1 O14842 3/20 0.37
EGLN1 Q9GZT9 1/20 0.35
MAPK14 Q16539 1/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MAOB P27338 1/20 0.34
GSK3B P49841 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
GRM5 P41594 1/20 0.33
NR1H2 P55055 1/20 0.33
S1PR1 P21453 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA5 P22460 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 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
SCHEMBL5885789 0.88 PPARG (0.39) PPARGFFAR1EGLN1MAPK14GFER
SCHEMBL5885785 0.86 KMT2A (0.39) PPARGFFAR1EGLN1GFERMAOB
SCHEMBL5888740 0.84 GFER (0.40) PPARGFFAR1EGLN1MAPK14GFER
SCHEMBL5886056 0.84 MAPK14 (0.38) PPARGFFAR1MAPK14GFERKCNN4
SCHEMBL5885689 0.84 PTGES (0.40) FFAR1GFERMRGPRX4KMT2AKCNN4
SCHEMBL5885868 0.84 PPARG (0.36) PPARGFFAR1EGLN1MAPK14GFER
SCHEMBL5885874 0.83 PPARG (0.36) PPARGFFAR1EGLN1MAPK14GFER
SCHEMBL5885861 0.83 PPARG (0.38) PPARGEGLN1MAPK14
SCHEMBL5888737 0.83 GFER (0.46) PPARGFFAR1EGLN1GFERHTT
SCHEMBL5886050 0.82 ACACB (0.45) PPARGHTTGRM5

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 2510/4885FFAR1 2184/4885EGLN1 2190/4885

“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.