SCHEMBL3353581

SCHEMBL3353581

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)c(I)cc3O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
PROKR1 Q8TCW9 2/20 0.33
FPR2 P25090 1/20 0.33
HTR2A P28223 1/20 0.32
POLB P06746 1/20 0.31
ATF4 P18848 3/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AIMP2 Q13155 1/20 0.31
SPR P35270 1/20 0.30
MC4R P32245 1/20 0.30
MTNR1B P49286 1/20 0.30
PREP P48147 2/20 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
SCHEMBL3353515 0.94 ALDH1A1 (0.38) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3353173 0.92 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3355744 0.91 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3354403 0.91 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL13330973 0.91 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3353086 0.90 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBL3MBTL1
SCHEMBL3354647 0.90 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBL3MBTL1
SCHEMBL3353052 0.90 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3353608 0.90 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2POLBATF4
SCHEMBL3355879 0.90 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2POLBL3MBTL1

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 5 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
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 903/4885PROKR1 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.