SCHEMBL3355372

SCHEMBL3355372

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
PROKR1 Q8TCW9 2/20 0.33
FPR2 P25090 1/20 0.33
HSD11B1 P28845 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
AIMP2 Q13155 1/20 0.32
MC4R P32245 5/20 0.30
MTNR1B P49286 4/20 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
SCHEMBL13330962 0.92 L3MBTL1 (0.32) L3MBTL1AIMP2MC4RMTNR1B
SCHEMBL3354707 0.90 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2HSD11B1AIMP2
SCHEMBL3355341 0.89 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2HSD11B1MC4R
SCHEMBL3359004 0.89 POLB (0.38) ALDH1A1PROKR1FPR2HSD11B1L3MBTL1
SCHEMBL3353011 0.88 LMNA (0.34) ALDH1A1PROKR1FPR2L3MBTL1AIMP2
SCHEMBL3359075 0.88 ALDH1A1 (0.33) ALDH1A1PROKR1FPR2
SCHEMBL3352265 0.88 ALDH1A1 (0.33) ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3358333 0.88 ALDH1A1 (0.33) ALDH1A1PROKR1FPR2MC4RMTNR1B
SCHEMBL3355876 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3359501 0.86 ALDH1A1 (0.38) ALDH1A1PROKR1FPR2L3MBTL1AIMP2

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 8 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
US-8759818-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 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
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

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 903/4885PROKR1 148/4885FPR2 60/4885

“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.