SCHEMBL3357052

SCHEMBL3357052

COc1cc2c(cc1Cl)NCC(C(=O)NCC1(O)CCN(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
CCR1 P32246 2/20 0.41
HTR4 Q13639 1/20 0.41
CCR5 P51681 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 1/20 0.39
SSTR5 P35346 1/20 0.38
CCR3 P51677 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
ATF4 P18848 1/20 0.37

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
SCHEMBL3359001 0.88 HSD17B10 (0.40) CACNA1GHTR4CCR5HSD17B10SSTR5
SCHEMBL3355221 0.85 DRD3 (0.51) HTR4CCR3DRD3ATF4
SCHEMBL3355272 0.80 CACNA1G (0.42) CACNA1GCCR1HTR4CCR5ACHE
SCHEMBL3354789 0.77 CCR1 (0.57) CCR1
SCHEMBL3354785 0.77 CCR1 (0.57) CCR1
SCHEMBL3355355 0.75 KMT2A (0.39) CCR1LMNA
SCHEMBL13330864 0.75 ALDH1A1 (0.39) CCR1LMNA
SCHEMBL3354939 0.73 CCR1 (0.37) CCR1LMNA
SCHEMBL3356896 0.72 ALDH1A1 (0.51) LMNA
SCHEMBL3354931 0.71 CYP19A1 (0.35) CCR1LMNA

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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 CACNA1G 3649/4885CCR1 1/4885HTR4 823/4885

“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.