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SCHEMBL3354367

SCHEMBL3354367

CN(C)C(=O)COc1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MGLL Q99685 2/20 0.33
▸ ATF4 P18848 4/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PREP P48147 2/20 0.31
▸ CCR3 P51677 1/20 0.30
▸ IDH1 O75874 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 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
SCHEMBL3356066 0.92 ALDH1A1 (0.35) ALDH1A1MGLLATF4FPR2PROKR1
SCHEMBL3354415 0.92 ALDH1A1 (0.37) ALDH1A1MGLLATF4FPR2PROKR1
SCHEMBL13330848 0.91 ALDH1A1 (0.34) ALDH1A1MGLLATF4FPR2PROKR1
SCHEMBL3355415 0.91 ALDH1A1 (0.35) ALDH1A1MGLLATF4FPR2PROKR1
SCHEMBL3354939 0.89 CCR1 (0.37) ALDH1A1MGLLFPR2PROKR1L3MBTL1
SCHEMBL3351152 0.87 MGLL (0.34) ALDH1A1MGLLFPR2PROKR1L3MBTL1
SCHEMBL3351809 0.87 ALDH1A1 (0.35) ALDH1A1FPR2PROKR1L3MBTL1
SCHEMBL13308225 0.86 ALDH1A1 (0.34) ALDH1A1MGLLATF4PREP
SCHEMBL3353515 0.86 ALDH1A1 (0.38) ALDH1A1ATF4FPR2PROKR1L3MBTL1
SCHEMBL3353159 0.86 ALDH1A1 (0.35) ALDH1A1FPR2PROKR1L3MBTL1

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
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 claimed
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
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 ALDH1A1 903/4885MGLL 4334/4885ATF4 2359/4885

“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.