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SCHEMBL3352890

SCHEMBL3352890

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CNc3cc(Cl)c(-c4cccnc4)cc3O2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP11B2 P19099 2/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL3359143 0.93 ALDH1A1 (0.35) ALDH1A1FPR2PROKR1
SCHEMBL3355975 0.93 CYP46A1 (0.37) ALDH1A1KDM4ENAMPTFPR2PROKR1
SCHEMBL3356144 0.90 ALDH1A1 (0.38) ALDH1A1FPR2PROKR1
SCHEMBL3351431 0.89 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3355658 0.89 MAP3K8 (0.34) ALDH1A1
SCHEMBL3355662 0.88 MC4R (0.41) ALDH1A1
SCHEMBL3353515 0.88 ALDH1A1 (0.38) ALDH1A1L3MBTL1FPR2PROKR1
SCHEMBL3356496 0.88 ALDH1A1 (0.33) ALDH1A1FPR2PROKR1
SCHEMBL3352935 0.88 ALDH1A1 (0.39) ALDH1A1HCRTR1HCRTR2
SCHEMBL3355404 0.88 ALDH1A1 (0.34) ALDH1A1FPR2PROKR1

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
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

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 903/4885CYP11B2 1297/4885HCRTR1 72/4885

“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.