SCHEMBL5218302

SCHEMBL5218302

CNC(C)(C)CCN1CC(Oc2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.38
SIGMAR1 Q99720 5/20 0.37
HTR2C P28335 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 7/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 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
SCHEMBL5222212 0.83 SLC6A4 (0.40) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL5218296 0.81 HTR2C (0.37) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL6929073 0.79 HRH3 (0.49) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL20205993 0.75 SLC6A4 (0.49) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL6636548 0.73 SIGMAR1 (0.45) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL5333626 0.73 SIGMAR1 (0.45) SIGMAR1HTR2CKCNH2SLC6A4SLC6A2
SCHEMBL5223671 0.72 CYP3A4 (0.48) FPR2PROKR1
SCHEMBL5222098 0.72 MAPT (0.39) HTR2C
SCHEMBL6685625 0.70 DRD2 (0.41)
SCHEMBL5335904 0.70 DRD2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006026204-A2 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-09 WO claimed
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 ALPG 4607/4885SIGMAR1 643/4885HTR2C 644/4885

“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.