SCHEMBL3358134

SCHEMBL3358134

COc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)NC1CCN(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.46
CCR3 P51677 2/20 0.44
SIGMAR1 Q99720 7/20 0.43
MCHR1 Q99705 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACKR3 P25106 1/20 0.42
CCR1 P32246 1/20 0.42
HTR4 Q13639 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL3355272 0.86 CACNA1G (0.42) CCR3ACKR3CCR1HTR4
SCHEMBL3355221 0.79 DRD3 (0.51) DRD3CCR3SIGMAR1MCHR1HTR4
SCHEMBL3355275 0.77 CCR1 (0.34) CCR1
SCHEMBL3356313 0.77 MEN1 (0.36) CCR1LMNA
SCHEMBL3351119 0.77 PDE4B (0.41) CCR3MCHR1
SCHEMBL3354397 0.76 HTT (0.42)
SCHEMBL3355919 0.75 CACNA1G (0.36) HTR4
SCHEMBL3355480 0.75 ALDH1A1 (0.45) LMNA
SCHEMBL3355392 0.74 MC4R (0.36) CCR3CCR1LMNA
SCHEMBL3358694 0.72 PDE4A (0.35)

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 DRD3 1569/4885CCR3 5/4885SIGMAR1 452/4885

“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.