SCHEMBL5218296

SCHEMBL5218296

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ESR1 P03372 3/20 0.35
FPR2 P25090 4/20 0.35
PROKR1 Q8TCW9 4/20 0.35
ESR2 Q92731 1/20 0.35
SIGMAR1 Q99720 5/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5222212 0.86 SLC6A4 (0.40) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL5218302 0.81 ALPG (0.38) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL6929073 0.79 HRH3 (0.49) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL6636548 0.76 SIGMAR1 (0.45) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL5333626 0.76 SIGMAR1 (0.45) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL20205993 0.75 SLC6A4 (0.49) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL6689767 0.72 SIGMAR1 (0.39) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL5336103 0.72 SIGMAR1 (0.39) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL5331649 0.71 SIGMAR1 (0.38) HTR2CKCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL5331646 0.71 SIGMAR1 (0.38) HTR2CKCNH2SLC6A4SLC6A2SLC6A3

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 HTR2C 644/4885KCNH2 1457/4885SLC6A4 3261/4885

“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.