SCHEMBL2761806

SCHEMBL2761806

CC1CCN(CCN2CC[CH]CC2C(N)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.36
HRH3 Q9Y5N1 5/20 0.36
MEN1 O00255 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CARM1 Q86X55 1/20 0.35

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
SCHEMBL2761900 0.87 SMN1; SMN2 (0.35) POLBSMN1; SMN2HRH3KDM4EALDH1A1
SCHEMBL2761794 0.84 L3MBTL1 (0.42) POLBSMN1; SMN2KMT2AHRH3MEN1
SCHEMBL2761703 0.84 L3MBTL1 (0.42) POLBSMN1; SMN2KMT2AHRH3MEN1
SCHEMBL2762427 0.83 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2762049 0.83 SMN1; SMN2 (0.33) SMN1; SMN2HRH3KDM4EALDH1A1GAA
SCHEMBL4394338 0.81 GBA1 (0.33)
SCHEMBL2762080 0.80 PARP1 (0.34) KMT2AMEN1
SCHEMBL2761998 0.80 PARP1 (0.34) KMT2AMEN1
SCHEMBL3963948 0.79 SMN1; SMN2 (0.36) SMN1; SMN2HTR1ADRD3GAA
SCHEMBL2762214 0.78 MAOA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US claimed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US claimed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 EP claimed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 WO claimed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 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 (1 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-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 HTT 4321/4885POLB 2924/4885SMN1; SMN2 4263/4885

“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.