SCHEMBL2762015

SCHEMBL2762015

NC(=O)C1C[CH]CCN1CCN1CCC[C@@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
BCHE P06276 1/20 0.36
HTR1A P08908 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
KDM2B Q8NHM5 1/20 0.30

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
SCHEMBL2762110 1.00 ALDH1A1 (0.36) ALDH1A1BCHEHTR1AKDM4EHRH2
SCHEMBL2762057 1.00 ALDH1A1 (0.36) ALDH1A1BCHEHTR1AKDM4EHRH2
SCHEMBL2762049 0.90 SMN1; SMN2 (0.33) ALDH1A1BCHEKDM4EHRH3GAA
SCHEMBL2762299 0.86 BCHE (0.35) BCHEHTR1APOLBGAAGRM2
SCHEMBL2761900 0.84 SMN1; SMN2 (0.35) ALDH1A1KDM4EHRH3POLBGAA
SCHEMBL2761703 0.84 L3MBTL1 (0.42) ALDH1A1KDM4EHRH3POLBTSHR
SCHEMBL2761794 0.84 L3MBTL1 (0.42) ALDH1A1KDM4EHRH3POLBTSHR
SCHEMBL2761696 0.84 BCHE (0.33) BCHEHRH2HRH1
SCHEMBL2762427 0.80 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4394338 0.78 GBA1 (0.33)

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 ALDH1A1 1732/4885BCHE 2327/4885HTR1A 1607/4885

“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.