SCHEMBL2575676

SCHEMBL2575676

C=C(C)CN1C(=O)CC[C@H]1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.43
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ADRA1A P35348 2/20 0.34
TSHR P16473 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2575675 1.00 P2RX7 (0.43) P2RX7KMT2AHDAC1HDAC8HDAC6
SCHEMBL24750149 0.83 TP53 (0.40) P2RX7KMT2AHDAC1HDAC8HDAC6
SCHEMBL2581879 0.82 P2RX7 (0.47) P2RX7
SCHEMBL2581878 0.82 P2RX7 (0.47) P2RX7
SCHEMBL2583834 0.79 P2RX7 (0.48) P2RX7KMT2A
SCHEMBL2583832 0.79 P2RX7 (0.48) P2RX7KMT2A
SCHEMBL9382323 0.78 KMT2A (0.39) P2RX7KMT2AADRA1AADRA1DADRA1B
SCHEMBL9385983 0.78 KMT2A (0.39) P2RX7KMT2AADRA1AADRA1DADRA1B
SCHEMBL18204647 0.78 KMT2A (0.39) P2RX7KMT2AADRA1AADRA1DADRA1B
SCHEMBL24750150 0.78 CYP2D6 (0.38) P2RX7KMT2AHDAC1HDAC8HDAC6

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
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885KMT2A 4700/4885HDAC1 4076/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885KMT2A 4700/4885HDAC1 4076/4885

“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.