SCHEMBL5225121

SCHEMBL5225121

Cn1nc(C2CCC2)cc1NC(=O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 14/20 0.47
KCNJ3 P48549 14/20 0.47
KCNJ5 P48544 11/20 0.47
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5225046 0.95 KCNJ6 (0.48) KCNJ6KCNJ3KCNJ5ALDH1A1RAB9A
SCHEMBL1013226 0.86 KCNJ6 (0.61) KCNJ6KCNJ3KCNJ5
SCHEMBL1010934 0.81 KCNJ6 (0.63) KCNJ6KCNJ3KCNJ5
SCHEMBL21228045 0.79 GAA (0.47) KCNJ6KCNJ3RAB9AGAAMAPT
SCHEMBL11966180 0.78 KCNJ6 (0.43) KCNJ6KCNJ3KCNJ5ALDH1A1GAA
SCHEMBL13860720 0.78 MAPT (0.57) ALDH1A1RAB9ANPSR1MAPT
SCHEMBL13860390 0.76 KCNJ6 (0.55) KCNJ6KCNJ3KCNJ5
SCHEMBL2852141 0.76 JAK2 (0.56) KCNJ6KCNJ3KCNJ5GAA
SCHEMBL5224672 0.74 RAB9A (0.48) ALDH1A1RAB9AGAANPSR1MAPT
SCHEMBL1010615 0.74 MAPK14 (0.65) MAPT

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 8 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
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
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US 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
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 (2 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 KCNJ6 1033/4885KCNJ3 422/4885KCNJ5 1010/4885
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 KCNJ6 972/4885KCNJ3 418/4885KCNJ5 995/4885

“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.