SCHEMBL2761901

SCHEMBL2761901

NC1CCN(CCN2CCC(O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.48
GNAO1 P09471 1/20 0.48
GNAI1 P63096 1/20 0.48
KCNA3 P22001 2/20 0.43
SPHK1 Q9NYA1 2/20 0.39
ARG1 P05089 2/20 0.37
ARG2 P78540 2/20 0.37
GPR119 Q8TDV5 1/20 0.34
HRH3 Q9Y5N1 4/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
ACHE P22303 1/20 0.34

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
Hydrochloric Acid SCHEMBL2762511 0.98 GNAI3 (0.52) GNAI3GNAO1GNAI1KCNA3SPHK1
Hydrochloric Acid SCHEMBL915356 0.98 GNAI3 (0.52) GNAI3GNAO1GNAI1KCNA3SPHK1
SCHEMBL2762050 0.92 GNAI3 (0.43) GNAI3GNAO1GNAI1KCNA3SPHK1
SCHEMBL6946272 0.80 GNAI3 (0.52) GNAI3GNAO1GNAI1SPHK1HRH3
SCHEMBL2762058 0.80 ALDH1A1 (0.44) GNAI3GNAO1GNAI1SPHK1HRH3
SCHEMBL2762016 0.80 ALDH1A1 (0.44) GNAI3GNAO1GNAI1SPHK1HRH3
SCHEMBL2762111 0.80 ALDH1A1 (0.44) GNAI3GNAO1GNAI1SPHK1HRH3
Hydrochloric Acid SCHEMBL914515 0.78 GNAI3 (0.43) GNAI3GNAO1GNAI1SPHK1HRH3
SCHEMBL2761948 0.78 LMNA (0.41) GNAI3GNAO1GNAI1SPHK1
SCHEMBL722623 0.78 ALOX15 (0.57) GNAI3GNAO1GNAI1KCNA3SPHK1

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 20 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-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 US disclosed
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-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
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 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
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
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 US 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 GNAI3 512/4885GNAO1 465/4885GNAI1 475/4885
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.