SCHEMBL5746075

SCHEMBL5746075

CN(C(=O)OC(C)(C)C)C(Cc1ccc(O)cc1)C(=O)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
SIGMAR1 Q99720 3/20 0.44
CHRM3 P20309 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 1/20 0.42
OPRK1 P41145 3/20 0.42
ADORA1 P30542 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL5746071 1.00 P2RX7 (0.47) P2RX7SIGMAR1CHRM3MEN1KMT2A
SCHEMBL5746277 0.90 ALDH1A1 (0.47) P2RX7MEN1KMT2AADORA1CHRM1
SCHEMBL5746272 0.90 ALDH1A1 (0.47) P2RX7MEN1KMT2AADORA1CHRM1
SCHEMBL9483331 0.83 P2RX7 (0.48) P2RX7MEN1KMT2AADORA1CHRM1
SCHEMBL5746743 0.83 GRIN2D (0.48) P2RX7MEN1KMT2AOPRK1
SCHEMBL5746736 0.83 GRIN2D (0.48) P2RX7MEN1KMT2AOPRK1
SCHEMBL5770430 0.82 P2RX7 (0.46) P2RX7ADORA1
SCHEMBL5747677 0.82 P2RX7 (0.48) P2RX7MEN1KMT2AADORA1
SCHEMBL5747674 0.82 P2RX7 (0.48) P2RX7MEN1KMT2AADORA1
SCHEMBL5770422 0.82 P2RX7 (0.46) P2RX7ADORA1

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 9 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
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
EP-1487449-A4 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-08-23 EP disclosed
US-7094895-B2 Tyrosyl derivatives and their use as P2X7 receptor modulators KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-08-22 US disclosed
EP-1487449-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2004-12-22 EP disclosed
US-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators CREDIT SUISSE AG 2003-09-25 US disclosed
WO-2003059353-A1 TYROSYL DERIVATIVES AND THEIR USE AS P2X7 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-07-24 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-20030181452-A1 Tyrosyl derivatives and their use as P2X7 receptor modulators P2RX7, P2RX3, P2RX5 P2RX7 1/4885SIGMAR1 829/4885CHRM3 297/4885

“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.