SCHEMBL3355141

SCHEMBL3355141

CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(F)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
JAK1 P23458 10/20 0.49
GPR119 Q8TDV5 6/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL22719214 0.88 GPR119 (0.42) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL22719293 0.88 MGLL (0.43) JAK2JAK1GPR119
SCHEMBL22719333 0.87 GPR119 (0.47) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL4635533 0.86 JAK2 (0.47) JAK2JAK1GPR119HDAC1
SCHEMBL22719366 0.85 GPR119 (0.43) JAK2JAK1GPR119
SCHEMBL22719348 0.85 GPR119 (0.41) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL22719280 0.84 TACR1 (0.41) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL3354417 0.83 ALDH1A1 (0.40) JAK2JAK1
SCHEMBL22719136 0.83 JAK2 (0.47) JAK2JAK1GPR119
SCHEMBL22719383 0.82 GPR119 (0.44) JAK2JAK1GPR119OPRD1OPRK1

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 6 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
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 JAK2 664/4885JAK1 1481/4885GPR119 550/4885

“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.