SCHEMBL5222212

SCHEMBL5222212

CC(C)(N)CCN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR2C P28335 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.37
ESR1 P03372 3/20 0.36
FPR2 P25090 4/20 0.36
PROKR1 Q8TCW9 4/20 0.36
SIGMAR1 Q99720 5/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5218296 0.86 HTR2C (0.37) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL5218302 0.83 ALPG (0.38) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6929073 0.82 HRH3 (0.49) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL5333626 0.78 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6636548 0.78 SIGMAR1 (0.45) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL20205993 0.77 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL5336103 0.74 SIGMAR1 (0.39) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL6689767 0.74 SIGMAR1 (0.39) SLC6A4SLC6A2SLC6A3HTR2CKCNH2
SCHEMBL5331649 0.73 SIGMAR1 (0.38) SLC6A4SLC6A2SLC6A3HTR2AHRH1
SCHEMBL5331646 0.73 SIGMAR1 (0.38) SLC6A4SLC6A2SLC6A3HTR2AHRH1

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
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US disclosed
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 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-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 SLC6A4 3261/4885SLC6A2 3873/4885SLC6A3 1927/4885

“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.