SCHEMBL3271109

SCHEMBL3271109

CC(C)(C)OC(=O)NC[C@H](CI)NC(=O)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.80
ATM Q13315 1/20 0.51
CTRB1 P17538 2/20 0.50
CTSK P43235 6/20 0.48
MAPT P10636 1/20 0.48
CTSS P25774 6/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
PPARA Q07869 1/20 0.46
IDO1 P14902 1/20 0.45
AKT1 P31749 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
SCHEMBL6310847 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL2627398 0.89 SYK (1.00) SYKATMCTRB1CTSKMAPT
SCHEMBL3271846 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL6310843 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL3582905 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL2627375 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL6310853 0.89 SYK (0.82) SYKATMCTRB1CTSKMAPT
SCHEMBL14360841 0.88 SYK (0.67) SYKATMCTRB1MAPTCTSS
SCHEMBL20674340 0.88 SYK (0.80) SYKATMCTRB1CTSKMAPT
SCHEMBL10936907 0.88 SYK (0.80) SYKATMCTRB1CTSKMAPT

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-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
EP-1330436-B1 N-(4-ARYLOXYPIPERIDIN-1-YLALKYL) CINNAMIC AMIDES AS CCR3-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-06-30 EP disclosed
US-7034042-B2 N-(4-aryloxypiperidin-1-ylalkyl) cinnamic amides as CCR33 receptor antagonists NOVARTIS AG (CH) 2006-04-25 US disclosed
US-20040087621-A1 N-(4-aryloxypiperidin-1-ylalkyl) cinnamic amides as ccr33 receptor antagonists NOVARTIS AG (CH) 2004-05-06 US disclosed
EP-1330436-A1 N-(4-ARYLOXYPIPERIDIN-1-YLALKYL) CINNAMIC AMIDES AS CCR3-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2003-07-30 EP disclosed
WO-2002030898-A1 N-(4-ARYLOXYPIPERIDIN-1-YLALKYL) CINNAMIC AMIDES AS CCR33 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2002-04-18 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-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 SYK 3212/4885ATM 4624/4885CTRB1 340/4885
US-20040087621-A1 N-(4-aryloxypiperidin-1-ylalkyl) cinnamic amides as ccr33 receptor antagonists CCR1, CCR3, CCR8 SYK 4125/4885ATM 4042/4885CTRB1 1292/4885

“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.