SCHEMBL5225147

SCHEMBL5225147

CC(C)(C)OC(=O)NC1(CC(=O)N2CC(Oc3ccc(Cl)cc3)C2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
DRD2 P14416 5/20 0.39
RBP4 P02753 2/20 0.38
USP30 Q70CQ3 1/20 0.37
CCR1 P32246 1/20 0.36
NAMPT P43490 2/20 0.35
CACNA1B Q00975 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5223217 0.84 DRD2 (0.43) P2RX7DRD2CCR1CACNA1BGAA
SCHEMBL5220841 0.78 RBP4 (0.43) DRD2RBP4USP30CCR1NAMPT
SCHEMBL23182777 0.74 ATF4 (0.38) DRD2GAA
SCHEMBL6585960 0.72 EPHX2 (0.47) RBP4NAMPTEPHX2
SCHEMBL5218248 0.71 CCR1 (0.57) USP30CCR1CACNA1BEPHX2
SCHEMBL23383717 0.69 ATF4 (0.49) DRD2MEN1KMT2A
SCHEMBL20196993 0.69 ACACB (0.43) DRD2GAA
SCHEMBL16838921 0.69 ACACB (0.43) DRD2GAA
SCHEMBL5331915 0.69 CACNA1B (0.57) CCR1CACNA1B
SCHEMBL5331911 0.69 CACNA1B (0.57) CCR1CACNA1B

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 P2RX7 664/4885DRD2 221/4885RBP4 2830/4885

“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.