SCHEMBL1019978

SCHEMBL1019978

Cn1cc(C(=O)NCC2CCCCCC2)c2c(Br)cc(Br)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
P2RX7 Q99572 3/20 0.45
MAP2K1 Q02750 1/20 0.44
ACHE P22303 1/20 0.44
HTR4 Q13639 1/20 0.44
IL1B P01584 2/20 0.43
NPC1 O15118 2/20 0.43
PDE10A Q9Y233 2/20 0.42
RAB9A P51151 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL1019567 0.90 POLB (0.47) POLBKMT2AMEN1P2RX7MAP2K1
SCHEMBL1020635 0.89 POLB (0.48) POLBKMT2AMEN1P2RX7MAP2K1
SCHEMBL1020529 0.89 MAP2K1 (0.52) POLBKMT2AMEN1P2RX7MAP2K1
SCHEMBL1020006 0.89 POLB (0.48) POLBKMT2AMEN1P2RX7MAP2K1
SCHEMBL12955267 0.89 POLB (0.46) POLBKMT2AMEN1P2RX7MAP2K1
SCHEMBL1019138 0.89 P2RX7 (0.53) POLBKMT2AMEN1P2RX7IL1B
SCHEMBL1020250 0.87 PDE10A (0.53) POLBKMT2AMEN1P2RX7ACHE
SCHEMBL1020656 0.86 P2RX7 (0.61) POLBKMT2AMEN1P2RX7ACHE
SCHEMBL1020654 0.84 P2RX7 (0.53) POLBKMT2AMEN1P2RX7IL1B
SCHEMBL1021999 0.84 P2RX7 (0.53) POLBKMT2AMEN1P2RX7IL1B

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 24 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
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

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 POLB 4480/4885KMT2A 2990/4885MEN1 4442/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 POLB 4480/4885KMT2A 2990/4885MEN1 4442/4885

“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.