SCHEMBL3351546

SCHEMBL3351546

CCN(CC)c1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
GRIA2 P42262 3/20 0.34
SPR P35270 1/20 0.33
PROKR1 Q8TCW9 2/20 0.32
FPR2 P25090 1/20 0.32
CHEK1 O14757 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIN2A Q12879 2/20 0.30
HSD11B1 P28845 1/20 0.30
TACR3 P29371 1/20 0.30
HSD17B10 Q99714 1/20 0.30
AIMP2 Q13155 1/20 0.30

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
SCHEMBL3351809 0.93 ALDH1A1 (0.35) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3353194 0.91 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2L3MBTL1HSD11B1
SCHEMBL3353515 0.90 ALDH1A1 (0.38) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3353052 0.89 ALDH1A1 (0.35) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3355366 0.89 ALDH1A1 (0.32) ALDH1A1PROKR1FPR2L3MBTL1HSD17B10
SCHEMBL3353173 0.87 ALDH1A1 (0.36) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3353581 0.87 ALDH1A1 (0.36) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3355693 0.87 ALDH1A1 (0.37) ALDH1A1SPRPROKR1FPR2L3MBTL1
SCHEMBL3351145 0.87 ALDH1A1 (0.37) ALDH1A1PROKR1FPR2
SCHEMBL3354403 0.87 ALDH1A1 (0.36) ALDH1A1SPRPROKR1FPR2L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO claimed
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
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

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 ALDH1A1 903/4885GRIA2 1008/4885SPR 3036/4885

“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.