SCHEMBL2761697

SCHEMBL2761697

NC1CCN(CCN2CCCCC(N)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
LTA4H P09960 2/20 0.38
CYP1A2 P05177 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
TSHR P16473 1/20 0.33
PTPN11 Q06124 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6946272 0.87 GNAI3 (0.52) GNAI3GNAO1GNAI1CYP1A2HRH3
SCHEMBL2761795 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1CYP1A2HRH3
SCHEMBL2761704 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1CYP1A2HRH3
Hydrochloric Acid SCHEMBL914047 0.83 GNAI3 (0.53) GNAI3GNAO1GNAI1CYP1A2HRH3
Hydrochloric Acid SCHEMBL913928 0.83 GNAI3 (0.53) GNAI3GNAO1GNAI1CYP1A2HRH3
SCHEMBL23448772 0.79 GNAI3 (0.59) GNAI3GNAO1GNAI1CYP1A2HRH3
SCHEMBL2762300 0.78 GNAI3 (0.42) GNAI3GNAO1GNAI1LTA4HHRH3
SCHEMBL2762016 0.77 ALDH1A1 (0.44) GNAI3GNAO1GNAI1LTA4HHRH3
SCHEMBL2762058 0.77 ALDH1A1 (0.44) GNAI3GNAO1GNAI1LTA4HHRH3
SCHEMBL29307337 0.77 ALDH1A1 (0.40) LTA4HHRH3HRH2HRH1TSHR

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 GNAI3 513/4885GNAO1 462/4885GNAI1 482/4885

“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.