SCHEMBL5345803

SCHEMBL5345803

COC[C@@H](N)CCN1CC(Oc2ccccc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
OXTR P30559 2/20 0.38
AVPR1A P37288 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCD O00767 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 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
SCHEMBL5336103 0.80 SIGMAR1 (0.39) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6689767 0.80 SIGMAR1 (0.39) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL25945067 0.73 SLC6A4 (0.51) OXTRAVPR1ASLC6A4SLC6A2SLC6A3
SCHEMBL25807458 0.69 SLC6A4 (0.47) OXTRAVPR1ASLC6A4SLC6A2SLC6A3
SCHEMBL14047771 0.66 HTR2C (0.53) SLC6A4SLC6A2SLC6A3HTR2CSCD
SCHEMBL10261369 0.66 HTR2C (0.53) SLC6A4SLC6A2SLC6A3HTR2CSCD
SCHEMBL10274504 0.65 SCD (0.56) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL9450757 0.64 SLC6A4 (0.45) OXTRAVPR1ASLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5332083 0.64 SLC6A2 (0.41) GRIN1GRIN2BSLC6A2SLC6A3CYP2D6
SCHEMBL2637086 0.64 RBP4 (0.48) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3

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 2 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

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 GRIN1 484/4885GRIN2B 704/4885OXTR 794/4885

“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.