SCHEMBL1020006

SCHEMBL1020006

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
MAP2K1 Q02750 1/20 0.45
KMT2A Q03164 3/20 0.45
P2RX7 Q99572 4/20 0.43
ACHE P22303 1/20 0.43
HTR4 Q13639 1/20 0.43
MEN1 O00255 2/20 0.42
IL1B P01584 3/20 0.42
PDE10A Q9Y233 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP13 P45452 1/20 0.38

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
SCHEMBL1019978 0.89 POLB (0.50) POLBNPC1RAB9AMAP2K1KMT2A
SCHEMBL1020979 0.88 NPC1 (0.49) POLBNPC1RAB9AMAP2K1KMT2A
SCHEMBL1020731 0.87 PDE10A (0.51) POLBNPC1RAB9AKMT2AP2RX7
SCHEMBL1020240 0.87 NPC1 (0.60) NPC1RAB9AKMT2AP2RX7MEN1
SCHEMBL13672998 0.87 NPC1 (0.48) POLBNPC1RAB9AMAP2K1KMT2A
SCHEMBL1020635 0.87 POLB (0.48) POLBNPC1RAB9AMAP2K1KMT2A
SCHEMBL1021279 0.86 POLB (0.46) POLBNPC1RAB9AKMT2AP2RX7
SCHEMBL1020044 0.86 P2RX7 (0.59) POLBNPC1RAB9AKMT2AP2RX7
SCHEMBL1020529 0.85 MAP2K1 (0.52) POLBNPC1RAB9AMAP2K1KMT2A
SCHEMBL1021999 0.82 P2RX7 (0.53) POLBNPC1KMT2AP2RX7MEN1

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-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
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 POLB 4480/4885NPC1 1162/4885RAB9A 3522/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 POLB 4480/4885NPC1 1162/4885RAB9A 3522/4885

“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.