SCHEMBL5334330

SCHEMBL5334330

COc1cc(NC(=O)N[C@@H](CCN2CC(C(=O)c3ccc(F)cc3)C2)C(O[SiH2]C(C)(C)C)(c2ccccc2)c2ccccc2)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.37
CCKBR P32239 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2D6 P10635 4/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 2/20 0.35
GLA P06280 1/20 0.35
MCHR1 Q99705 1/20 0.35
CCR3 P51677 3/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL5336161 0.84 HRH2 (0.39) CYP1A2CYP2D6LMNASMN1; SMN2
SCHEMBL5336018 0.77 CYP2C19 (0.43) ACKR3CYP2C19CYP1A2GAACYP2C9
SCHEMBL5334325 0.77 CCKBR (0.38) ACKR3CCKBRCYP2C19CYP1A2GAA
SCHEMBL6621560 0.65 CYP1A2 (0.43) CYP2C19CYP1A2GAACYP2C9LMNA
SCHEMBL5335195 0.61 KDM4E (0.39) CYP1A2CYP2D6LMNAMAPK1MEN1
SCHEMBL5335189 0.61 KDM4E (0.39) CYP1A2CYP2D6LMNAMAPK1MEN1
SCHEMBL5335044 0.60 HRH2 (0.41) LMNASMN1; SMN2
SCHEMBL5334263 0.60 IDH1 (0.44) LMNASMN1; SMN2MAPK1MEN1ALDH1A1
Bromide SCHEMBL7255791 0.59 HTR2A (0.46) CYP1A2CYP2D6LMNASMN1; SMN2HSD11B1
SCHEMBL27615590 0.59 HSD11B1 (0.43) CYP2C19CYP1A2GAACYP2C9LMNA

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
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US 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 (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-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 ACKR3 11/4885CCKBR 570/4885CYP2C19 1977/4885

“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.