SCHEMBL1019436

SCHEMBL1019436

CCn1cc(C(=O)NCC23CCC(CC2)CC3)c2c(C)cc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
P2RX7 Q99572 7/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
IL1B P01584 3/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL1019695 0.91 CNR2 (0.37) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1019517 0.90 P2RX7 (0.39) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1020882 0.89 P2RX7 (0.42) P2RX7IL1B
SCHEMBL1020147 0.89 KDM4E (0.36) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1019862 0.88 P2RX7 (0.39) CNR2P2RX7IL1B
SCHEMBL1019651 0.88 CNR2 (0.39) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1021114 0.88 P2RX7 (0.37) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1020322 0.83 P2RX7 (0.44) CNR2P2RX7IL1B
SCHEMBL13672992 0.83 CNR2 (0.38) CNR2P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1021322 0.83 P2RX7 (0.38) CNR2P2RX7IL1BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232290-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-07-31 US claimed
EP-2105164-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-01-12 EP claimed
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-12-17 US claimed
WO-2009118175-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-10-01 WO claimed
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP claimed
US-8815892-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2014-08-26 US disclosed
US-8815892-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2014-08-26 US disclosed
US-8815892-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2014-08-26 US disclosed
US-8569334-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2013-10-29 US disclosed
US-8569334-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2013-10-29 US disclosed
US-8569334-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2013-10-29 US disclosed
US-20130197046-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2013-08-01 US disclosed
US-8232290-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-07-31 US disclosed
EP-2105164-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-01-12 EP disclosed
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-12-17 US disclosed
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-12-17 US disclosed
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-12-17 US disclosed
WO-2009118175-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2009-10-01 WO disclosed
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP disclosed
EP-2105164-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2009-09-30 EP 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-20130197046-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 CNR2 24/4885P2RX7 2/4885ALDH1A1 2929/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 CNR2 24/4885P2RX7 2/4885ALDH1A1 2929/4885

“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.