SCHEMBL6627883

SCHEMBL6627883

CC(C)(C)OC(=O)N1CCN(c2cc(OCc3ccccc3)ccc2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
YAP1 P46937 3/20 0.51
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
ACHE P22303 1/20 0.48
TLR9 Q9NR96 4/20 0.48
TLR7 Q9NYK1 2/20 0.48
SLC2A1 P11166 1/20 0.47
KIT P10721 2/20 0.46
FLT3 P36888 1/20 0.46
PRMT5 O14744 2/20 0.46
GHSR Q92847 1/20 0.46

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
SCHEMBL17658994 0.88 GPR119 (0.54) GPR119CA12CA1CA2CA4
SCHEMBL8259695 0.87 GPR119 (0.53) GPR119CA12CA1CA2CA4
SCHEMBL6377183 0.85 SMARCA2 (0.49) GPR119CA12CA1CA2CA4
SCHEMBL8221363 0.85 GPR119 (0.53) GPR119CA12CA1CA2CA4
SCHEMBL6629188 0.84 GPR119 (0.50) GPR119CA12CA1CA2CA4
SCHEMBL6928232 0.84 GPR119 (0.56) GPR119CA12CA1CA2CA4
SCHEMBL34465627 0.83 GPR119 (0.54) GPR119CA12CA1CA2CA4
SCHEMBL2883449 0.83 GPR119 (0.58) GPR119YAP1ACHEKITFLT3
SCHEMBL31180934 0.82 TLR9 (0.53) GPR119CA12CA1CA2CA4
SCHEMBL5339319 0.80 HTR1A (0.55) GPR119ACHETLR9TLR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389194-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-02-18 EP disclosed
US-20030095958-A1 Inhibitors of bace VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US disclosed
WO-2002088101-A2 INHIBITORS OF BACE VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-11-07 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 (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-20030095958-A1 Inhibitors of bace BACE2, BACE1, APP GPR119 3178/4885CA12 1270/4885CA1 192/4885

“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.