SCHEMBL1595586

SCHEMBL1595586

CC(O)Cn1cc(NC(=O)CC2CCCCC2)c2c(Cl)cccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.44
P2RX7 Q99572 4/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 1/20 0.41
ROCK2 O75116 1/20 0.40
IL1B P01584 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL177908 1.00 EPHX2 (0.44) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL178031 0.90 ALDH1A1 (0.46) NPC1RAB9ATP53SMN1; SMN2L3MBTL1
SCHEMBL178134 0.90 ALDH1A1 (0.46) NPC1RAB9ATP53SMN1; SMN2L3MBTL1
SCHEMBL13127212 0.89 EPHX2 (0.42) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL10108725 0.89 P2RX7 (0.45) EPHX2P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL1595367 0.89 EPHX2 (0.41) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL1594704 0.89 EPHX2 (0.41) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL1595001 0.88 EPHX2 (0.43) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL1595898 0.88 EPHX2 (0.43) EPHX2P2RX7NPC1RAB9ATP53
SCHEMBL178040 0.88 RAB9A (0.46) EPHX2P2RX7NPC1RAB9AL3MBTL1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US claimed
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP claimed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US claimed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US claimed
EP-2243772-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2010-10-27 EP claimed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US claimed
EP-2569281-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS Affectis Pharmaceuticals AG (DE) 2013-03-20 EP disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
CN-102395562-A Novel P2X7R antagonists and uses thereof AFFECTIS PHARMACEUTICALS AG 2012-03-28 CN disclosed
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP disclosed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
EP-2243772-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2010-10-27 EP disclosed
WO-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 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 (3 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-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS P2RX7, P2RX3, P2RX2 EPHX2 869/4885P2RX7 1/4885NPC1 2234/4885
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 EPHX2 1405/4885P2RX7 4/4885NPC1 1162/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 EPHX2 1405/4885P2RX7 4/4885NPC1 1162/4885

“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.