SCHEMBL3351789

SCHEMBL3351789

CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)Oc2cc(OCc3ccccc3)c(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.37
USP30 Q70CQ3 1/20 0.37
CNR1 P21554 1/20 0.37
PRMT5 O14744 2/20 0.37
EPHX2 P34913 1/20 0.36
MGLL Q99685 1/20 0.36
S1PR3 Q99500 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
NEK2 P51955 1/20 0.36
AKR1B1 P15121 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL3351119 0.88 PDE4B (0.41) EPHX2GPR119HRH1CCR3
SCHEMBL3353860 0.85 GPR119 (0.41) USP30EPHX2GPR119HRH1CCR3
SCHEMBL3353800 0.83 ALDH1A1 (0.37) YAP1MGLLGPR119AKR1B1
SCHEMBL3356445 0.82 L3MBTL1 (0.44)
SCHEMBL3357401 0.82 AKR1B1 (0.44) YAP1AKR1B1
SCHEMBL13308316 0.81 ALDH1A1 (0.37) YAP1MGLLGPR119AKR1B1
SCHEMBL13330717 0.80 FAAH (0.41) CNR1EPHX2HRH1CCR3AKR1B1
SCHEMBL13308314 0.79 POLB (0.43) YAP1AKR1B1
SCHEMBL3355131 0.78 POLB (0.42) AKR1B1
SCHEMBL3355630 0.78 AKR1B1 (0.34) YAP1PRMT5MGLLGPR119AKR1B1

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
US-8759818-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 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
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 YAP1 2955/4885USP30 1994/4885CNR1 27/4885

“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.