Sugi Predict

Sugi Predict / Compounds / SCHEMBL3358660

SCHEMBL3358660

SCHEMBL3358660

CCOc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ SSTR5 P35346 2/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13334552 0.94 MC4R (0.34) MC4RALDH1A1MGLLGPR119
SCHEMBL3353490 0.94 MC4R (0.34) MC4RALDH1A1MGLLJAK2JAK1
SCHEMBL13308230 0.93 MC4R (0.33) MC4RALDH1A1MGLLCCNT1RORC
SCHEMBL13308228 0.93 MC4R (0.34) MC4RALDH1A1MGLLLMNAJAK2
SCHEMBL2799068 0.92 MC4R (0.37) MC4RALDH1A1JAK2JAK1RORC
SCHEMBL3355857 0.92 MC4R (0.34) MC4RALDH1A1MGLLCTSSJAK2
SCHEMBL3353800 0.92 ALDH1A1 (0.37) MC4RALDH1A1MGLLCTSSCCNT1
SCHEMBL3354586 0.91 MC4R (0.34) MC4RALDH1A1MGLLJAK2JAK1
SCHEMBL3354748 0.91 MC4R (0.34) MC4RALDH1A1MGLLHTR2CHTR2A
SCHEMBL3353154 0.91 MC4R (0.36) MC4RALDH1A1JAK2JAK1PAK1

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
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
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 MC4R 1326/4885ALDH1A1 903/4885SSTR5 1134/4885

“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.