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SCHEMBL3355261

SCHEMBL3355261

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.42
▸ PROKR1 Q8TCW9 3/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ ATF4 P18848 4/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AIMP2 Q13155 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL3359150 0.95 ADAMTS5 (0.40) ADAMTS5PROKR1FPR2ATF4HSD17B10
SCHEMBL3353515 0.85 ALDH1A1 (0.38) PROKR1FPR2ATF4HSD17B10AIMP2
SCHEMBL3354315 0.84 ATF4 (0.34) ADAMTS5ATF4MEN1KMT2AALDH1A1
SCHEMBL3355744 0.84 ALDH1A1 (0.36) PROKR1FPR2ATF4ALDH1A1NR3C2
SCHEMBL3353581 0.83 ALDH1A1 (0.36) PROKR1FPR2ATF4HSD17B10AIMP2
SCHEMBL3353173 0.83 ALDH1A1 (0.36) PROKR1FPR2ATF4HSD17B10AIMP2
SCHEMBL3354403 0.82 ALDH1A1 (0.36) PROKR1FPR2ATF4HSD17B10AIMP2
SCHEMBL13330973 0.82 ALDH1A1 (0.36) PROKR1FPR2ATF4HSD17B10MEN1
SCHEMBL3353608 0.81 ALDH1A1 (0.35) ADAMTS5PROKR1FPR2ATF4HSD17B10
SCHEMBL3353052 0.81 ALDH1A1 (0.35) PROKR1FPR2ATF4HSD17B10KMT2A

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
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 ADAMTS5 2540/4885PROKR1 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.