SCHEMBL4940965

SCHEMBL4940965

FC(F)(F)Oc1ccc(-c2cccc3ccn(Cc4ccccc4)c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.58
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
APP P05067 2/20 0.41
CHRM5 P08912 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGDR Q13258 1/20 0.40
GRM2 Q14416 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
GRIN2B Q13224 1/20 0.39
EPHX2 P34913 2/20 0.39
PPARA Q07869 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
SNCA P37840 1/20 0.38

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
SCHEMBL4940075 0.81 SERPINE1 (0.55) SERPINE1HCRTR1HCRTR2APPBCHE
SCHEMBL3858095 0.77 SERPINE1 (0.57) SERPINE1APPCHRM5TRPV1
SCHEMBL3862992 0.77 HTR6 (0.63) SERPINE1APPCHRM5TRPV1SNCA
SCHEMBL10019302 0.76 KDM4E (0.47) PTGER4BACE1
SCHEMBL30241513 0.75 HTR6 (0.59) SERPINE1GRM2TRPV1BCHEACHE
SCHEMBL6084878 0.75 HTR6 (0.59) SERPINE1GRM2TRPV1BCHEACHE
SCHEMBL4942845 0.74 ICMT (0.43) APPPTGER4PTGDRSNCA
SCHEMBL28778047 0.74 SERPINE1 (0.51) SERPINE1HCRTR1HCRTR2CHRM5FFAR1
SCHEMBL4754975 0.74 SERPINE1 (1.00) SERPINE1HCRTR1HCRTR2FFAR1FFAR4
SCHEMBL21481817 0.73 PTGER4 (0.52) SERPINE1PTGER4PTGDRTRPV1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 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 (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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885HCRTR1 957/4885HCRTR2 2223/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885HCRTR1 962/4885HCRTR2 2240/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885HCRTR1 1430/4885HCRTR2 1833/4885

“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.