SCHEMBL914925

SCHEMBL914925

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc3c(OCc4ccoc4)cccc3[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
HASPIN Q8TF76 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SRD5A2 P31213 1/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
NTSR1 P30989 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PRMT5 O14744 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL27653275 0.89 SRD5A2 (0.47) SRD5A2KMT2AMEN1POLBALDH1A1
SCHEMBL914811 0.84 PARP1 (0.44) PARP1CCNCCDK8HASPINL3MBTL1
SCHEMBL914691 0.83 SRD5A2 (0.47) PARP1SRD5A2KMT2AMEN1POLB
SCHEMBL914670 0.83 SRD5A2 (0.43) SRD5A2KMT2AMEN1POLB
SCHEMBL914012 0.83 SRD5A2 (0.43) SRD5A2KMT2AMEN1POLBKDM4E
SCHEMBL914050 0.83 PARP1 (0.51) PARP1CCNCCDK8HASPINL3MBTL1
SCHEMBL914245 0.82 PARP1 (0.42) PARP1CCNCCDK8HASPINL3MBTL1
SCHEMBL914571 0.82 KMT2A (0.40) SRD5A2KMT2AMEN1POLB
SCHEMBL915044 0.82 PARP1 (0.42) PARP1CCNCCDK8HASPINL3MBTL1
SCHEMBL914662 0.81 PARP1 (0.48) PARP1CCNCCDK8HASPINL3MBTL1

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.