Sugi Predict

Sugi Predict / Compounds / SCHEMBL3353141

SCHEMBL3353141

SCHEMBL3353141

COc1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)nc3)CC1)O2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ATF4 P18848 4/20 0.32
▸ PROKR1 Q8TCW9 2/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ CCR1 P32246 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ AXL P30530 2/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ SHMT2 P34897 1/20 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
SCHEMBL3354939 0.91 CCR1 (0.37) ALDH1A1MAPTHTTPROKR1FPR2
SCHEMBL3355378 0.89 ALDH1A1 (0.32) ALDH1A1ATF4PROKR1FPR2
SCHEMBL3358091 0.89 PDE4A (0.35) ALDH1A1MAPTHTTPROKR1FPR2
SCHEMBL3353168 0.88 CCR1 (0.35) ALDH1A1MAPTHTTPROKR1FPR2
SCHEMBL3356066 0.85 ALDH1A1 (0.35) ALDH1A1HTTATF4PROKR1FPR2
SCHEMBL13330848 0.84 ALDH1A1 (0.34) ALDH1A1ATF4PROKR1FPR2MGLL
SCHEMBL3356144 0.84 ALDH1A1 (0.38) ALDH1A1PROKR1FPR2
SCHEMBL3354415 0.84 ALDH1A1 (0.37) ALDH1A1ATF4PROKR1FPR2MGLL
SCHEMBL3351152 0.83 MGLL (0.34) ALDH1A1PROKR1FPR2MGLL
SCHEMBL3355429 0.83 ALDH1A1 (0.35) ALDH1A1CCR1HTR1A

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
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 903/4885MAPT 4510/4885HTT 4802/4885

“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.