SCHEMBL5889155

SCHEMBL5889155

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(N)ncn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.53
TBK1 Q9UHD2 1/20 0.47
FAAH O00519 1/20 0.43
TGFBR1 P36897 1/20 0.43
PIK3CD O00329 1/20 0.42

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
SCHEMBL4263363 0.87 GPR119 (0.51) GPR119TBK1FAAH
SCHEMBL6803580 0.84 GRIN2B (0.38) GPR119TBK1TGFBR1
SCHEMBL390655 0.81 TBK1 (0.46) GPR119TBK1TGFBR1
SCHEMBL27747830 0.80 GPR119 (0.49) GPR119TBK1TGFBR1
SCHEMBL391077 0.80 TBK1 (0.47) GPR119TBK1TGFBR1
SCHEMBL391594 0.80 GPR119 (0.51) GPR119TBK1TGFBR1
SCHEMBL390779 0.80 TBK1 (0.47) GPR119TBK1TGFBR1
SCHEMBL387995 0.80 GPR119 (0.47) GPR119TBK1TGFBR1
SCHEMBL387040 0.80 GPR119 (0.58) GPR119
SCHEMBL389695 0.80 GPR119 (0.47) GPR119TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
EP-1341540-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2003-09-10 EP disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 US disclosed
WO-2002045652-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2002-06-13 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 GPR119 316/4885TBK1 145/4885FAAH 4549/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 GPR119 316/4885TBK1 145/4885FAAH 4549/4885

“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.