SCHEMBL1595844

SCHEMBL1595844

NCC(O)Cn1cc(NC(=O)CC2CCCCCC2)c2c(Br)cccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
EPHX2 P34913 2/20 0.40
KMT2A Q03164 2/20 0.40
P2RX7 Q99572 3/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL1595205 1.00 AAK1 (0.44) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1594865 0.91 KDM4E (0.46) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL1595876 0.91 KDM4E (0.46) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL1595365 0.89 RAB9A (0.43) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1594478 0.89 RAB9A (0.43) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL1595898 0.89 EPHX2 (0.43) AAK1RAB9ANPC1EPHX2P2RX7
SCHEMBL1595001 0.89 EPHX2 (0.43) AAK1RAB9ANPC1EPHX2P2RX7
SCHEMBL178040 0.88 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL177958 0.88 RAB9A (0.46) AAK1RAB9ANPC1EPHX2KMT2A
SCHEMBL7897209 0.88 AAK1 (0.42) AAK1RAB9ANPC1EPHX2KMT2A

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 23 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
WO-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO claimed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US claimed
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
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP disclosed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US disclosed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 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
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 (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-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 AAK1 1223/4885RAB9A 3807/4885NPC1 1162/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 AAK1 1223/4885RAB9A 3807/4885NPC1 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.