SCHEMBL1021114

SCHEMBL1021114

Cc1cc(Br)cc2c1c(C(=O)NCC13CCC(CC1)CC3)cn2C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.37
CNR2 P34972 3/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP2K1 Q02750 1/20 0.32
AVPR1A P37288 1/20 0.32
ABCB11 O95342 1/20 0.32

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
SCHEMBL1020287 0.90 P2RX7 (0.37) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1019586 0.88 MAP2K1 (0.39) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1020087 0.88 P2RX7 (0.41) P2RX7
SCHEMBL13699785 0.88 P2RX7 (0.34) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1019517 0.88 P2RX7 (0.39) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1019436 0.88 CNR2 (0.39) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1021342 0.87 P2RX7 (0.40) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1018206 0.87 P2RX7 (0.37) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL13672993 0.87 P2RX7 (0.39) P2RX7CNR2MEN1ALDH1A1KMT2A
SCHEMBL1019943 0.83 P2RX7 (0.46) P2RX7CNR2

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-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-20120302597-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2012-11-29 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
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 (3 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 P2RX7 2/4885CNR2 24/4885MEN1 4442/4885
US-20120302597-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 P2RX7 2/4885CNR2 24/4885MEN1 4442/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 P2RX7 2/4885CNR2 24/4885MEN1 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.