SCHEMBL1594026

SCHEMBL1594026

CCOC(=O)C(C(=O)OCC)n1cc(NC(=O)CC2CCCCCC2)c2c(Cl)cccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
P2RX7 Q99572 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RORC P51449 1/20 0.40
NAMPT P43490 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
SCHEMBL3477239 0.92 NPC1 (0.46) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL177934 0.83 NPC1 (0.46) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL177759 0.83 NPC1 (0.46) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL12704324 0.81 EPHX2 (0.47) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL1594530 0.81 EPHX2 (0.49) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL1595273 0.81 EPHX2 (0.49) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL13127147 0.79 EPHX2 (0.41) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL177908 0.78 EPHX2 (0.44) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL1595586 0.78 EPHX2 (0.44) NPC1RAB9ATDP1L3MBTL1EPHX2
SCHEMBL177987 0.76 EPHX2 (0.46) NPC1RAB9AL3MBTL1EPHX2SMN1; SMN2

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 6 patents. 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 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-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
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 NPC1 1162/4885RAB9A 3807/4885TDP1 1969/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 NPC1 1162/4885RAB9A 3807/4885TDP1 1969/4885

“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.