SCHEMBL914286

SCHEMBL914286

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3c(Br)cccc3[nH]2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.54
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
HASPIN Q8TF76 1/20 0.49
HRH4 Q9H3N8 1/20 0.48
USP30 Q70CQ3 3/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL27673302 0.84 HRH4 (0.52) HRH4
SCHEMBL914050 0.82 PARP1 (0.51) PARP1CCNCCDK8HASPINUSP30
SCHEMBL3282789 0.81 CCNC (0.51) PARP1CCNCCDK8HASPINUSP30
SCHEMBL25337645 0.81 KDM4E (0.54) PARP1HRH4
SCHEMBL2762287 0.80 GPR119 (0.51) PARP1CCNCCDK8HASPINUSP30
SCHEMBL13395671 0.80 MMP2 (0.44) PARP1HRH4USP30
SCHEMBL3304611 0.79 HRH4 (0.39) PARP1CCNCCDK8HASPINHRH4
SCHEMBL914925 0.79 PARP1 (0.46) PARP1CCNCCDK8HASPINUSP30
SCHEMBL24588691 0.78 PARP1 (0.59) PARP1USP30
SCHEMBL3963418 0.78 POLB (0.58) PARP1USP30EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PARP1 2933/4885CCNC 2902/4885CDK8 3076/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PARP1 3011/4885CCNC 2877/4885CDK8 3096/4885

“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.