SCHEMBL5746277

SCHEMBL5746277

CN(C(=O)OC(C)(C)C)C(Cc1ccc(O)cc1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
P2RX7 Q99572 2/20 0.46
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADORA1 P30542 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM1 P11229 1/20 0.41

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
SCHEMBL5746272 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL5770430 0.91 P2RX7 (0.46) P2RX7ADORA1
SCHEMBL5770422 0.91 P2RX7 (0.46) P2RX7ADORA1
SCHEMBL5746075 0.90 P2RX7 (0.47) P2RX7ADORA1KMT2AMEN1CHRM1
SCHEMBL5746071 0.90 P2RX7 (0.47) P2RX7ADORA1KMT2AMEN1CHRM1
SCHEMBL5745350 0.88 P2RX7 (0.48) ALDH1A1SMN1; SMN2MAPK1P2RX7ADORA1
SCHEMBL5745357 0.88 P2RX7 (0.48) ALDH1A1SMN1; SMN2MAPK1P2RX7ADORA1
SCHEMBL5747674 0.85 P2RX7 (0.48) TSHRP2RX7ADORA1KMT2AMEN1
SCHEMBL5747677 0.85 P2RX7 (0.48) TSHRP2RX7ADORA1KMT2AMEN1
SCHEMBL9483331 0.85 P2RX7 (0.48) SMN1; SMN2P2RX7ADORA1KMT2AMEN1

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 10 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
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 ALDH1A1 2288/4885SMN1; SMN2 3550/4885TSHR 750/4885

“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.