SCHEMBL3359150

SCHEMBL3359150

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)ccc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.40
ATF4 P18848 4/20 0.39
ALDH1A1 P00352 2/20 0.37
PROKR1 Q8TCW9 2/20 0.35
FPR2 P25090 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AIMP2 Q13155 1/20 0.33
MGLL Q99685 1/20 0.33
HSD11B1 P28845 1/20 0.33
GPR183 P32249 2/20 0.33

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
SCHEMBL3355261 0.95 ADAMTS5 (0.42) ADAMTS5ATF4ALDH1A1PROKR1FPR2
SCHEMBL3353515 0.90 ALDH1A1 (0.38) ATF4ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL3355744 0.89 ALDH1A1 (0.36) ATF4ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3354315 0.89 ATF4 (0.34) ADAMTS5ATF4ALDH1A1
SCHEMBL3353173 0.88 ALDH1A1 (0.36) ATF4ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL3353581 0.88 ALDH1A1 (0.36) ATF4ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL3354403 0.87 ALDH1A1 (0.36) ATF4ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL13330973 0.87 ALDH1A1 (0.36) ATF4ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL3353608 0.87 ALDH1A1 (0.35) ADAMTS5ATF4ALDH1A1PROKR1FPR2
SCHEMBL3353052 0.87 ALDH1A1 (0.35) ATF4ALDH1A1PROKR1FPR2HSD17B10

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 6 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
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
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 ADAMTS5 2540/4885ATF4 2359/4885ALDH1A1 903/4885

“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.