SCHEMBL2583832

SCHEMBL2583832

C=C(C)CN1C(=O)CCC1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.48
ACE P12821 2/20 0.43
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GYS1 P13807 1/20 0.33

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
SCHEMBL2583834 1.00 P2RX7 (0.48) P2RX7ACEKMT2AMEN1POLB
SCHEMBL6694973 0.82 ACE (0.44) P2RX7ACEKMT2AMEN1POLB
SCHEMBL29150853 0.81 ACE (0.43) P2RX7ACEKMT2AMEN1POLB
SCHEMBL6705720 0.81 ACE (0.43) P2RX7ACEKMT2AMEN1POLB
SCHEMBL31694803 0.80 ACE (0.43) P2RX7ACEKMT2AMEN1POLB
SCHEMBL29564154 0.79 ACE (0.42) P2RX7ACEKMT2AMEN1POLB
SCHEMBL2575675 0.79 P2RX7 (0.43) P2RX7KMT2A
SCHEMBL2575676 0.79 P2RX7 (0.43) P2RX7KMT2A
SCHEMBL1914212 0.79 P2RX7 (0.51) P2RX7ACEKMT2A
SCHEMBL1587390 0.79 P2RX7 (0.51) P2RX7ACEKMT2A

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 8 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
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO 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 1/4885ACE 3284/4885KMT2A 4700/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885ACE 3284/4885KMT2A 4700/4885

“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.