SCHEMBL4502120

SCHEMBL4502120

Cc1ccc(C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VEGFA P15692 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MGLL Q99685 1/20 0.47
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ COMT P21964 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL22800973 0.88 KMT2A (0.47) ALDH1A1TP53MEN1KMT2ACHRM2
SCHEMBL4296908 0.88 NR1H2 (0.50) VEGFAEGLN1ALDH1A1MGLLMEN1
SCHEMBL15265651 0.88 VEGFA (0.47) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL28572933 0.87 VEGFA (0.68) VEGFAEGLN1ALDH1A1MGLLDRD2
SCHEMBL15265246 0.86 MGLL (0.48) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL15265005 0.85 MGLL (0.50) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL16577092 0.85 ALDH1A1 (0.54) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL20150071 0.85 MGLL (0.48) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL20151870 0.85 MGLL (0.48) VEGFAEGLN1ALDH1A1MGLLTP53
SCHEMBL19386351 0.85 MGLL (0.48) VEGFAEGLN1ALDH1A1MGLLTP53

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-7488744-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2009-02-10 — — US disclosed
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2007-10-04 — — US disclosed
US-7220763-B2 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2007-05-22 — — US disclosed
EP-1545528-A4 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2006-07-26 — — EP disclosed
EP-1545528-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC. (US) 2005-06-29 — — EP disclosed
US-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-07-22 — — US disclosed
WO-2004022712-A2 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-03-18 — — WO disclosed
EP-0187618-A1 Piperazine derivatives, process for their preparation and their use SANDOZ AG (CH) 1986-07-16 — — 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 (2 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-20040142940-A1 Indole-type derivatives as inhibitors of p38 kinase MAPK1, MAPKAPK2, MAPK4 VEGFA 4822/4885EGLN1 2169/4885ALDH1A1 2371/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 VEGFA 4833/4885EGLN1 2303/4885ALDH1A1 1773/4885

“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.

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