SCHEMBL5747565

SCHEMBL5747565

CN(C(=O)OC(C)(C)C)C(Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
ADORA1 P30542 1/20 0.41
ESR1 P03372 1/20 0.39
ME2 P23368 3/20 0.39
ME1 P48163 3/20 0.39
ME3 Q16798 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PANK3 Q9H999 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5745936 1.00 P2RX7 (0.48) P2RX7ADORA1ESR1ME2ME1
SCHEMBL5773095 0.89 SMN1; SMN2 (0.49) P2RX7ADORA1ME2ME1ME3
SCHEMBL5745397 0.89 SMN1; SMN2 (0.49) P2RX7ADORA1ME2ME1ME3
SCHEMBL5746671 0.88 ME2 (0.50) P2RX7ADORA1ME2ME1ME3
SCHEMBL5744099 0.88 ADORA1 (0.52) P2RX7ADORA1ME2ME1ME3
SCHEMBL5746587 0.88 P2RX7 (0.46) P2RX7ADORA1ME2ME1ME3
SCHEMBL5746583 0.88 P2RX7 (0.46) P2RX7ADORA1ME2ME1ME3
SCHEMBL5744094 0.88 ADORA1 (0.52) P2RX7ADORA1ME2ME1ME3
SCHEMBL5747758 0.88 ADORA1 (0.46) P2RX7ADORA1ME2ME1ME3
SCHEMBL5746665 0.88 ME2 (0.50) P2RX7ADORA1ME2ME1ME3

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
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP claimed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US claimed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP claimed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US claimed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 WO claimed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US disclosed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US 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-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators P2RX7, P2RX3, P2RX5 P2RX7 1/4885ADORA1 47/4885ESR1 819/4885

“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.