SCHEMBL1020747

SCHEMBL1020747

Fc1cc(Cl)cc2[nH]ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 8/20 0.50
ALDH1A1 P00352 1/20 0.50
AHR P35869 3/20 0.45
CMA1 P23946 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
NR4A2 P43354 1/20 0.41
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TRPA1 O75762 1/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL29445657 0.78 AHR (0.48) RHEBALDH1A1AHRGPR84HSD17B10
SCHEMBL1405470 0.78 AHR (0.48) RHEBALDH1A1AHRGPR84HSD17B10
SCHEMBL1022450 0.78 RHEB (0.58) RHEBALDH1A1AHRCMA1F7
SCHEMBL29531208 0.78 RHEB (0.58) RHEBALDH1A1AHRCMA1F7
SCHEMBL25254260 0.75 RHEB (0.50) RHEBALDH1A1AHRCMA1GPR84
SCHEMBL31435859 0.75 RHEB (0.50) RHEBALDH1A1AHRCMA1GPR84
SCHEMBL1020339 0.75 RHEB (0.50) RHEBALDH1A1AHRCMA1GPR84
SCHEMBL1021334 0.75 AHR (0.45) RHEBALDH1A1AHRGPR84NR4A2
SCHEMBL5704871 0.75 RHEB (0.54) RHEBALDH1A1AHRCMA1F7
SCHEMBL827753 0.75 RHEB (0.50) RHEBALDH1A1AHRCMA1F7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
CN-102046240-A Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG 2011-05-04 CN 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
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 RHEB 4753/4885ALDH1A1 2929/4885AHR 328/4885
US-20120302597-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 RHEB 4753/4885ALDH1A1 2929/4885AHR 328/4885
US-20090312366-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX7, P2RX2 RHEB 4753/4885ALDH1A1 2929/4885AHR 328/4885

“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.