SCHEMBL5336103

SCHEMBL5336103

COC[C@@H](N)CCN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HRH3 Q9Y5N1 7/20 0.35
FPR2 P25090 3/20 0.34
PROKR1 Q8TCW9 3/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 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
SCHEMBL6689767 1.00 SIGMAR1 (0.39) SIGMAR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL5331649 0.84 SIGMAR1 (0.38) SIGMAR1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL5333626 0.83 SIGMAR1 (0.45) SIGMAR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL6636548 0.83 SIGMAR1 (0.45) SIGMAR1SLC6A4SLC6A2SLC6A3HRH3
Bromide SCHEMBL7255866 0.83 SIGMAR1 (0.37) SIGMAR1SLC6A4SLC6A2SLC6A3FPR2
Hydrochloric Acid SCHEMBL5335584 0.83 SIGMAR1 (0.40) SIGMAR1SLC6A4SLC6A2SLC6A3FPR2
Hydrochloric Acid SCHEMBL5335577 0.83 SIGMAR1 (0.40) SIGMAR1SLC6A4SLC6A2SLC6A3FPR2
SCHEMBL5345803 0.80 GRIN1 (0.39) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6929073 0.78 HRH3 (0.49) SIGMAR1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL5222212 0.74 SLC6A4 (0.40) SIGMAR1SLC6A4SLC6A2SLC6A3FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 SIGMAR1 412/4885SLC6A4 1121/4885SLC6A2 1453/4885

“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.