SCHEMBL915044

SCHEMBL915044

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3c(OCc4coc5ccc(Cl)cc45)cccc3[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.42
MAPK8 P45983 2/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
RHEB Q15382 1/20 0.39
F10 P00742 2/20 0.39
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
MCL1 Q07820 1/20 0.37
USP30 Q70CQ3 1/20 0.37
STS P08842 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL914245 0.92 PARP1 (0.42) PARP1CCNCCDK8HASPINUSP30
SCHEMBL914811 0.91 PARP1 (0.44) PARP1CCNCCDK8HASPINMCL1
SCHEMBL914167 0.85 SMYD3 (0.41) RHEBPOLBKMT2A
SCHEMBL914125 0.85 RHEB (0.42) CNR1RHEBKMT2A
SCHEMBL914187 0.85 RHEB (0.42) CNR1RHEB
SCHEMBL916123 0.84 RHEB (0.39) CNR1RHEBKMT2A
SCHEMBL6963420 0.82 RHEB (0.38) CNR1RHEBKMT2A
SCHEMBL914925 0.82 PARP1 (0.46) PARP1CCNCCDK8HASPINUSP30
Hydrochloric Acid SCHEMBL916205 0.81 RHEB (0.38) CNR1RHEBKMT2A
SCHEMBL6964663 0.80 RHEB (0.36) CNR1RHEBKMT2A

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 2933/4885MAPK8 1588/4885CCNC 2902/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 PARP1 3011/4885MAPK8 1593/4885CCNC 2877/4885

“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.