SCHEMBL4494038

SCHEMBL4494038

CC(C)(C)OC(=O)N1CCN(Cc2cccs2)CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD4 P21917 9/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
DRD3 P35462 6/20 0.41
DRD2 P14416 4/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
DRD5 P21918 3/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL14813528 0.81 ALDH1A1 (0.45) ALDH1A1GAA
SCHEMBL2023366 0.81 SMN1; SMN2 (0.72) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL4513476 0.80 ALDH1A1 (0.41) KDM4EALDH1A1
SCHEMBL17986061 0.76 SMN1; SMN2 (0.57) SMN1; SMN2HSD17B10DRD4KDM4EALDH1A1
SCHEMBL30164149 0.76 OPRD1 (0.35) KDM4EALDH1A1POLB
SCHEMBL29232157 0.76 OPRD1 (0.35) KDM4EALDH1A1POLB
SCHEMBL21150506 0.75 CTSK (0.39) SMN1; SMN2ALDH1A1MAPT
SCHEMBL20305061 0.74 HDAC1 (0.53) SMN1; SMN2KDM4EALDH1A1POLBMAPT
SCHEMBL18291493 0.73 GPR119 (0.38)
SCHEMBL9937728 0.72 CTSK (0.37) SMN1; SMN2

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-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

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 SMN1; SMN2 3757/4885HSD17B10 4078/4885DRD4 1221/4885
US-20070232617-A1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE MAPK1, MAPKAPK2, MAPKAPK5 SMN1; SMN2 3749/4885HSD17B10 4054/4885DRD4 1561/4885

“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.